CID 494177

2-((triphenylphosphoranyl)methyl)benzenesulfonyl fluoride

Structural Information

Molecular Formula
C25H21FO2PS
SMILES
C1=CC=C(C=C1)[P+](CC2=CC=CC=C2S(=O)(=O)F)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H21FO2PS/c26-30(27,28)25-19-11-10-12-21(25)20-29(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-19H,20H2/q+1
InChIKey
SWDREQUIIHRFDJ-UHFFFAOYSA-N
Compound name
(2-fluorosulfonylphenyl)methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.0984 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.10568 205.9
[M+Na]+ 458.08762 211.1
[M-H]- 434.09112 215.4
[M+NH4]+ 453.13222 214.4
[M+K]+ 474.06156 198.5
[M+H-H2O]+ 418.09566 194.4
[M+HCOO]- 480.09660 225.2
[M+CH3COO]- 494.11225 217.7
[M+Na-2H]- 456.07307 209.0
[M]+ 435.09785 203.7
[M]- 435.09895 203.7
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.