CID 18971409

4-chloro-2-cyanobenzene-1-sulfonamide

Structural Information

Molecular Formula
C7H5ClN2O2S
SMILES
C1=CC(=C(C=C1Cl)C#N)S(=O)(=O)N
InChI
InChI=1S/C7H5ClN2O2S/c8-6-1-2-7(13(10,11)12)5(3-6)4-9/h1-3H,(H2,10,11,12)
InChIKey
CKYIFWQORONJHP-UHFFFAOYSA-N
Compound name
4-chloro-2-cyanobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

215.97603 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98331 139.3
[M+Na]+ 238.96525 150.7
[M+NH4]+ 234.00985 143.9
[M+K]+ 254.93919 141.1
[M-H]- 214.96875 133.5
[M+Na-2H]- 236.95070 142.7
[M]+ 215.97548 139.1
[M]- 215.97658 139.1
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