CID 498139

4-chloro-2-((triphenylphosphoranyl)methyl)benzenesulfonyl fluoride

Structural Information

Molecular Formula
C25H19ClFO2PS
SMILES
C1=CC=C(C=C1)P(=CC2=C(C=CC(=C2)Cl)S(=O)(=O)F)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H19ClFO2PS/c26-21-16-17-25(31(27,28)29)20(18-21)19-30(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19H
InChIKey
IWLDTGFRCIZGBB-UHFFFAOYSA-N
Compound name
4-chloro-2-[(triphenyl-lambda5-phosphanylidene)methyl]benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.0516 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.05888 207.4
[M+Na]+ 491.04082 215.2
[M-H]- 467.04432 217.2
[M+NH4]+ 486.08542 216.4
[M+K]+ 507.01476 206.2
[M+H-H2O]+ 451.04886 194.2
[M+HCOO]- 513.04980 223.0
[M+CH3COO]- 527.06545 227.6
[M+Na-2H]- 489.02627 207.2
[M]+ 468.05105 209.0
[M]- 468.05215 209.0
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.