CID 2778400

3-chloro-2-fluorobenzenesulfonamide

Structural Information

Molecular Formula
C6H5ClFNO2S
SMILES
C1=CC(=C(C(=C1)Cl)F)S(=O)(=O)N
InChI
InChI=1S/C6H5ClFNO2S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKey
HJXNWGNMNKJAEY-UHFFFAOYSA-N
Compound name
3-chloro-2-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

208.97136 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.978636 134.8
[M+Na]+ 231.960578 146.0
[M-H]- 207.964084 137.9
[M+NH4]+ 227.005183 154.9
[M+K]+ 247.934518 141.1
[M+H-H2O]+ 191.968620 130.0
[M+HCOO]- 253.969561 149.0
[M+CH3COO]- 267.985211 181.8
[M+Na-2H]- 229.946026 138.9
[M]+ 208.97081142 136.5
[M]- 208.97190858 136.5
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

patents stripe