CID 4962178

4-chloro-3-(cyclopropylsulfamoyl)benzoic acid

Structural Information

Molecular Formula
C10H10ClNO4S
SMILES
C1CC1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl
InChI
InChI=1S/C10H10ClNO4S/c11-8-4-1-6(10(13)14)5-9(8)17(15,16)12-7-2-3-7/h1,4-5,7,12H,2-3H2,(H,13,14)
InChIKey
BTKQESRSEHOQDB-UHFFFAOYSA-N
Compound name
4-chloro-3-(cyclopropylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0019 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.009176 147.5
[M+Na]+ 297.991118 157.2
[M-H]- 273.994624 154.1
[M+NH4]+ 293.035723 159.3
[M+K]+ 313.965058 151.5
[M+H-H2O]+ 257.999160 142.6
[M+HCOO]- 320.000101 161.0
[M+CH3COO]- 334.015751 195.0
[M+Na-2H]- 295.976566 151.3
[M]+ 275.00135142 153.7
[M]- 275.00244858 153.7
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.