CID 45108165

N-chlorobenzenesulfonimidic acid

Structural Information

Molecular Formula
C6H6ClNO2S
SMILES
C1=CC=C(C=C1)S(=NCl)(=O)O
InChI
InChI=1S/C6H6ClNO2S/c7-8-11(9,10)6-4-2-1-3-5-6/h1-5H,(H,8,9,10)
InChIKey
BLVOORZVAQLNFH-UHFFFAOYSA-N
Compound name
N-chlorobenzenesulfonimidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.98077 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.988046 133.8
[M+Na]+ 213.969988 143.3
[M-H]- 189.973494 138.2
[M+NH4]+ 209.014593 154.5
[M+K]+ 229.943928 139.3
[M+H-H2O]+ 173.978030 129.5
[M+HCOO]- 235.978971 149.8
[M+CH3COO]- 249.994621 176.8
[M+Na-2H]- 211.955436 140.7
[M]+ 190.98022142 136.7
[M]- 190.98131858 136.7
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.