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

9
Patents

248.98625 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.993526 146.9
[M+Na]+ 271.975468 156.7
[M-H]- 247.978974 151.1
[M+NH4]+ 267.020073 165.1
[M+K]+ 287.949408 153.0
[M+H-H2O]+ 231.983510 142.5
[M+HCOO]- 293.984451 161.1
[M+CH3COO]- 308.000101 188.7
[M+Na-2H]- 269.960916 149.9
[M]+ 248.98570142 151.9
[M]- 248.98679858 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