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 150.3
[M+Na]+ 257.91537 164.1
[M-H]- 233.91887 155.1
[M+NH4]+ 252.95997 168.6
[M+K]+ 273.88931 158.6
[M+H-H2O]+ 217.92341 141.1
[M+HCOO]- 279.92435 157.6
[M+CH3COO]- 293.94000 195.7
[M+Na-2H]- 255.90082 153.6
[M]+ 234.92560 150.6
[M]- 234.92670 150.6
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.