CID 4962127

3-(cyclopropylsulfamoyl)benzoic acid

Structural Information

Molecular Formula
C10H11NO4S
SMILES
C1CC1NS(=O)(=O)C2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C10H11NO4S/c12-10(13)7-2-1-3-9(6-7)16(14,15)11-8-4-5-8/h1-3,6,8,11H,4-5H2,(H,12,13)
InChIKey
KBRLADOVWCDAEI-UHFFFAOYSA-N
Compound name
3-(cyclopropylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

241.04088 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04816 144.8
[M+Na]+ 264.03010 153.4
[M-H]- 240.03360 151.1
[M+NH4]+ 259.07470 156.7
[M+K]+ 280.00404 149.1
[M+H-H2O]+ 224.03814 138.6
[M+HCOO]- 286.03908 162.6
[M+CH3COO]- 300.05473 190.2
[M+Na-2H]- 262.01555 149.3
[M]+ 241.04033 148.6
[M]- 241.04143 148.6
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