CID 2492720

576169-99-8

Structural Information

Molecular Formula
C9H11NO5S
SMILES
CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC
InChI
InChI=1S/C9H11NO5S/c1-10-16(13,14)8-5-6(9(11)12)3-4-7(8)15-2/h3-5,10H,1-2H3,(H,11,12)
InChIKey
XKBCISMVWOJEGS-UHFFFAOYSA-N
Compound name
4-methoxy-3-(methylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

11
Patents

245.0358 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.04308 148.6
[M+Na]+ 268.02502 156.6
[M-H]- 244.02852 151.4
[M+NH4]+ 263.06962 165.3
[M+K]+ 283.99896 154.3
[M+H-H2O]+ 228.03306 142.7
[M+HCOO]- 290.03400 166.2
[M+CH3COO]- 304.04965 189.0
[M+Na-2H]- 266.01047 152.2
[M]+ 245.03525 152.6
[M]- 245.03635 152.6
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