PubChemLite - 1334547-76-0 (C39H37F12O2P)

Structural Information

Molecular Formula

SMILES

CC(C)C1=CC(=C(C(=C1)C(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)C(C)C

InChI

InChI=1S/C39H37F12O2P/c1-19(2)22-11-29(20(3)4)33(30(12-22)21(5)6)34-31(52-7)9-10-32(53-8)35(34)54(27-15-23(36(40,41)42)13-24(16-27)37(43,44)45)28-17-25(38(46,47)48)14-26(18-28)39(49,50)51/h9-21H,1-8H3

InChIKey

KYTUFIMHJNRPLC-UHFFFAOYSA-N

Compound name

bis[3,5-bis(trifluoromethyl)phenyl]-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]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]+	797.24123	290.9
[M+Na]+	819.22317	297.7
[M-H]-	795.22667	287.8
[M+NH4]+	814.26777	286.8
[M+K]+	835.19711	290.7
[M+H-H2O]+	779.23121	268.1
[M+HCOO]-	841.23215	290.6
[M+CH3COO]-	855.24780	297.4
[M+Na-2H]-	817.20862	274.4
[M]+	796.23340	281.0
[M]-	796.23450	281.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

797.24123

290.9

[M+Na]+

819.22317

297.7

[M-H]-

795.22667

287.8

[M+NH4]+

814.26777

286.8

[M+K]+

835.19711

290.7

[M+H-H2O]+

779.23121

268.1

[M+HCOO]-

841.23215

290.6

[M+CH3COO]-

855.24780

297.4

[M+Na-2H]-

817.20862

274.4

[M]+

796.23340

281.0

[M]-

796.23450

281.0

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

1334547-76-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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