CID 112639862

(3-chloro-2-fluorophenyl)methanesulfonamide

Structural Information

Molecular Formula
C7H7ClFNO2S
SMILES
C1=CC(=C(C(=C1)Cl)F)CS(=O)(=O)N
InChI
InChI=1S/C7H7ClFNO2S/c8-6-3-1-2-5(7(6)9)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKey
LOWZAWYOHMMCJL-UHFFFAOYSA-N
Compound name
(3-chloro-2-fluorophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.987 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.99428 139.4
[M+Na]+ 245.97622 150.1
[M-H]- 221.97972 142.2
[M+NH4]+ 241.02082 158.9
[M+K]+ 261.95016 145.0
[M+H-H2O]+ 205.98426 134.3
[M+HCOO]- 267.98520 153.2
[M+CH3COO]- 282.00085 184.8
[M+Na-2H]- 243.96167 143.0
[M]+ 222.98645 141.4
[M]- 222.98755 141.4
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.