CID 43164305

3-chloro-4-cyanobenzene-1-sulfonamide

Structural Information

Molecular Formula
C7H5ClN2O2S
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)Cl)C#N
InChI
InChI=1S/C7H5ClN2O2S/c8-7-3-6(13(10,11)12)2-1-5(7)4-9/h1-3H,(H2,10,11,12)
InChIKey
YHHGTFVINDCIIQ-UHFFFAOYSA-N
Compound name
3-chloro-4-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 150.9
[M+Na]+ 238.96525 163.3
[M-H]- 214.96875 155.3
[M+NH4]+ 234.00985 168.8
[M+K]+ 254.93919 158.9
[M+H-H2O]+ 198.97329 140.3
[M+HCOO]- 260.97423 162.7
[M+CH3COO]- 274.98988 195.4
[M+Na-2H]- 236.95070 154.0
[M]+ 215.97548 148.5
[M]- 215.97658 148.5
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