CID 21962897

2-[4-(dimethylsulfamoyl)phenyl]acetic acid

Structural Information

Molecular Formula
C10H13NO4S
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)O
InChI
InChI=1S/C10H13NO4S/c1-11(2)16(14,15)9-5-3-8(4-6-9)7-10(12)13/h3-6H,7H2,1-2H3,(H,12,13)
InChIKey
QDOKORYLCYYEOC-UHFFFAOYSA-N
Compound name
2-[4-(dimethylsulfamoyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

243.05653 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06381 151.9
[M+Na]+ 266.04575 161.2
[M+NH4]+ 261.09035 158.0
[M+K]+ 282.01969 156.2
[M-H]- 242.04925 151.8
[M+Na-2H]- 264.03120 156.1
[M]+ 243.05598 153.4
[M]- 243.05708 153.4
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