CID 20225484

138199-54-9

Structural Information

Molecular Formula
C7H6ClNO4S
SMILES
C1=CC=C(C(=C1)S(=O)(=O)NC(=O)O)Cl
InChI
InChI=1S/C7H6ClNO4S/c8-5-3-1-2-4-6(5)14(12,13)9-7(10)11/h1-4,9H,(H,10,11)
InChIKey
FULSIHOOFUQXTB-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)sulfonylcarbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

234.97061 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.97789 142.7
[M+Na]+ 257.95983 151.7
[M-H]- 233.96333 145.8
[M+NH4]+ 253.00443 160.7
[M+K]+ 273.93377 147.5
[M+H-H2O]+ 217.96787 138.4
[M+HCOO]- 279.96881 156.4
[M+CH3COO]- 293.98446 182.7
[M+Na-2H]- 255.94528 147.4
[M]+ 234.97006 146.0
[M]- 234.97116 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe