CID 137963903

2228598-63-6

Structural Information

Molecular Formula
C8H5ClF2O3S
SMILES
C1=CC(=CC=C1C(=O)C(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C8H5ClF2O3S/c9-15(13,14)6-3-1-5(2-4-6)7(12)8(10)11/h1-4,8H
InChIKey
RDCBCVHLZOUZBY-UHFFFAOYSA-N
Compound name
4-(2,2-difluoroacetyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.9616 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.96888 141.8
[M+Na]+ 276.95082 151.7
[M-H]- 252.95432 143.7
[M+NH4]+ 271.99542 160.1
[M+K]+ 292.92476 147.5
[M+H-H2O]+ 236.95886 135.9
[M+HCOO]- 298.95980 152.5
[M+CH3COO]- 312.97545 188.0
[M+Na-2H]- 274.93627 143.9
[M]+ 253.96105 144.2
[M]- 253.96215 144.2
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.