CID 84704582

1780433-75-1

Structural Information

Molecular Formula
C7H4ClF3O2S
SMILES
C1=CC(=C(C=C1S(=O)(=O)Cl)F)C(F)F
InChI
InChI=1S/C7H4ClF3O2S/c8-14(12,13)4-1-2-5(7(10)11)6(9)3-4/h1-3,7H
InChIKey
DBPHVVCNTQAJGA-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)-3-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 147.0
[M+Na]+ 266.94648 156.7
[M+NH4]+ 261.99108 152.9
[M+K]+ 282.92042 150.2
[M-H]- 242.94998 143.6
[M+Na-2H]- 264.93193 150.5
[M]+ 243.95671 147.8
[M]- 243.95781 147.8
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.