CID 55280436

2-chloro-6-cyanobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H3Cl2NO2S
SMILES
C1=CC(=C(C(=C1)Cl)S(=O)(=O)Cl)C#N
InChI
InChI=1S/C7H3Cl2NO2S/c8-6-3-1-2-5(4-10)7(6)13(9,11)12/h1-3H
InChIKey
HKLHWYFHASHTMM-UHFFFAOYSA-N
Compound name
2-chloro-6-cyanobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.92615 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.93343 139.7
[M+Na]+ 257.91537 152.9
[M+NH4]+ 252.95997 144.9
[M+K]+ 273.88931 142.3
[M-H]- 233.91887 134.0
[M+Na-2H]- 255.90082 143.8
[M]+ 234.92560 140.1
[M]- 234.92670 140.1
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

No patent data available for this compound.