PubChemLite - 1810068-30-4 (C34H29F12N2O2P)

Structural Information

Molecular Formula

SMILES

CN(C)C1=C(C(=CC=C1)N(C)C)C2=C(C=CC(=C2P(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)OC)OC

InChI

InChI=1S/C34H29F12N2O2P/c1-47(2)24-8-7-9-25(48(3)4)28(24)29-26(49-5)10-11-27(50-6)30(29)51(22-14-18(31(35,36)37)12-19(15-22)32(38,39)40)23-16-20(33(41,42)43)13-21(17-23)34(44,45)46/h7-17H,1-6H3

InChIKey

RXBSKAKCDMMHNB-UHFFFAOYSA-N

Compound name

2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3,6-dimethoxyphenyl]-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	757.18478	281.8
[M+Na]+	779.16672	289.3
[M-H]-	755.17022	281.2
[M+NH4]+	774.21132	279.5
[M+K]+	795.14066	283.7
[M+H-H2O]+	739.17476	258.0
[M+HCOO]-	801.17570	288.4
[M+CH3COO]-	815.19135	296.6
[M+Na-2H]-	777.15217	270.5
[M]+	756.17695	272.5
[M]-	756.17805	272.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

757.18478

281.8

[M+Na]+

779.16672

289.3

[M-H]-

755.17022

281.2

[M+NH4]+

774.21132

279.5

[M+K]+

795.14066

283.7

[M+H-H2O]+

739.17476

258.0

[M+HCOO]-

801.17570

288.4

[M+CH3COO]-

815.19135

296.6

[M+Na-2H]-

777.15217

270.5

[M]+

756.17695

272.5

[M]-

756.17805

272.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1810068-30-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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