CID 498105

3-((triphenylphosphoranyl)methyl)benzenesulfonyl fluoride

Structural Information

Molecular Formula
C25H20FO2PS
SMILES
C1=CC=C(C=C1)P(=CC2=CC(=CC=C2)S(=O)(=O)F)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H20FO2PS/c26-30(27,28)25-18-10-11-21(19-25)20-29(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-20H
InChIKey
GIBUTHIOWKTZQY-UHFFFAOYSA-N
Compound name
3-[(triphenyl-lambda5-phosphanylidene)methyl]benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.09058 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.09786 202.6
[M+Na]+ 457.07980 208.7
[M-H]- 433.08330 211.9
[M+NH4]+ 452.12440 211.6
[M+K]+ 473.05374 200.9
[M+H-H2O]+ 417.08784 188.7
[M+HCOO]- 479.08878 222.5
[M+CH3COO]- 493.10443 223.1
[M+Na-2H]- 455.06525 203.2
[M]+ 434.09003 201.0
[M]- 434.09113 201.0
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.