CID 14490070

5-(dimethylsulfamoyl)-2-hydroxybenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

245.0358 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.04308 148.1
[M+Na]+ 268.02502 155.8
[M-H]- 244.02852 151.1
[M+NH4]+ 263.06962 164.8
[M+K]+ 283.99896 154.2
[M+H-H2O]+ 228.03306 142.4
[M+HCOO]- 290.03400 164.7
[M+CH3COO]- 304.04965 190.0
[M+Na-2H]- 266.01047 150.8
[M]+ 245.03525 151.5
[M]- 245.03635 151.5
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