PubChemLite - 1810068-31-5 (C36H31F12O4P)

Structural Information

Molecular Formula

SMILES

CC(C)OC1=C(C(=CC=C1)OC(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/C36H31F12O4P/c1-18(2)51-27-8-7-9-28(52-19(3)4)30(27)31-26(49-5)10-11-29(50-6)32(31)53(24-14-20(33(37,38)39)12-21(15-24)34(40,41)42)25-16-22(35(43,44)45)13-23(17-25)36(46,47)48/h7-19H,1-6H3

InChIKey

XEACOTDENIXQLW-UHFFFAOYSA-N

Compound name

bis[3,5-bis(trifluoromethyl)phenyl]-[2-[2,6-di(propan-2-yloxy)phenyl]-3,6-dimethoxyphenyl]phosphane

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]+	787.18408	287.7
[M+Na]+	809.16602	294.6
[M-H]-	785.16952	284.6
[M+NH4]+	804.21062	283.5
[M+K]+	825.13996	288.9
[M+H-H2O]+	769.17406	264.3
[M+HCOO]-	831.17500	289.4
[M+CH3COO]-	845.19065	291.9
[M+Na-2H]-	807.15147	274.5
[M]+	786.17625	279.4
[M]-	786.17735	279.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

787.18408

287.7

[M+Na]+

809.16602

294.6

[M-H]-

785.16952

284.6

[M+NH4]+

804.21062

283.5

[M+K]+

825.13996

288.9

[M+H-H2O]+

769.17406

264.3

[M+HCOO]-

831.17500

289.4

[M+CH3COO]-

845.19065

291.9

[M+Na-2H]-

807.15147

274.5

[M]+

786.17625

279.4

[M]-

786.17735

279.4

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

1810068-31-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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