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]+ 276.00918 147.5
[M+Na]+ 297.99112 157.2
[M-H]- 273.99462 154.1
[M+NH4]+ 293.03572 159.3
[M+K]+ 313.96506 151.5
[M+H-H2O]+ 257.99916 142.6
[M+HCOO]- 320.00010 161.0
[M+CH3COO]- 334.01575 195.0
[M+Na-2H]- 295.97657 151.3
[M]+ 275.00135 153.7
[M]- 275.00245 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.