CID 24267854

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

243.05653 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06381 150.7
[M+Na]+ 266.04575 157.7
[M-H]- 242.04925 153.1
[M+NH4]+ 261.09035 167.4
[M+K]+ 282.01969 154.6
[M+H-H2O]+ 226.05379 144.7
[M+HCOO]- 288.05473 167.9
[M+CH3COO]- 302.07038 188.6
[M+Na-2H]- 264.03120 154.3
[M]+ 243.05598 153.3
[M]- 243.05708 153.3
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