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 148.2
[M+Na]+ 276.95082 158.0
[M+NH4]+ 271.99542 154.2
[M+K]+ 292.92476 152.1
[M-H]- 252.95432 145.3
[M+Na-2H]- 274.93627 152.0
[M]+ 253.96105 149.2
[M]- 253.96215 149.2
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.