CID 43164304

Methyl 4-chloro-2-sulfamoylbenzoate

Structural Information

Molecular Formula
C8H8ClNO4S
SMILES
COC(=O)C1=C(C=C(C=C1)Cl)S(=O)(=O)N
InChI
InChI=1S/C8H8ClNO4S/c1-14-8(11)6-3-2-5(9)4-7(6)15(10,12)13/h2-4H,1H3,(H2,10,12,13)
InChIKey
YLXAMHXQOPJCRX-UHFFFAOYSA-N
Compound name
methyl 4-chloro-2-sulfamoylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

248.98625 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.99353 146.9
[M+Na]+ 271.97547 156.7
[M-H]- 247.97897 151.1
[M+NH4]+ 267.02007 165.1
[M+K]+ 287.94941 153.0
[M+H-H2O]+ 231.98351 142.5
[M+HCOO]- 293.98445 161.1
[M+CH3COO]- 308.00010 188.7
[M+Na-2H]- 269.96092 149.9
[M]+ 248.98570 151.9
[M]- 248.98680 151.9
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