CID 131519342

3-(difluoromethyl)-4-fluorobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H4ClF3O2S
SMILES
C1=CC(=C(C=C1S(=O)(=O)Cl)C(F)F)F
InChI
InChI=1S/C7H4ClF3O2S/c8-14(12,13)4-1-2-6(9)5(3-4)7(10)11/h1-3,7H
InChIKey
KICJEJSHKXTMQT-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-4-fluorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.95726 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.96454 136.9
[M+Na]+ 266.94648 148.2
[M-H]- 242.94998 137.8
[M+NH4]+ 261.99108 156.0
[M+K]+ 282.92042 143.4
[M+H-H2O]+ 226.95452 130.4
[M+HCOO]- 288.95546 147.4
[M+CH3COO]- 302.97111 187.0
[M+Na-2H]- 264.93193 139.2
[M]+ 243.95671 138.0
[M]- 243.95781 138.0
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.