CID 494141

31362-37-5

Structural Information

Molecular Formula
C25H20ClFO2PS
SMILES
C1=CC=C(C=C1)[P+](CC2=C(C=C(C=C2)S(=O)(=O)F)Cl)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H20ClFO2PS/c26-25-18-24(31(27,28)29)17-16-20(25)19-30(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-18H,19H2/q+1
InChIKey
XWXRVSOVPRJNQR-UHFFFAOYSA-N
Compound name
(2-chloro-4-fluorosulfonylphenyl)methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.05942 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.06670 210.4
[M+Na]+ 492.04864 217.1
[M-H]- 468.05214 220.3
[M+NH4]+ 487.09324 218.9
[M+K]+ 508.02258 203.5
[M+H-H2O]+ 452.05668 199.6
[M+HCOO]- 514.05762 225.3
[M+CH3COO]- 528.07327 222.2
[M+Na-2H]- 490.03409 212.7
[M]+ 469.05887 211.3
[M]- 469.05997 211.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.