CID 95909902

2-(3-sulfamoylphenoxy)acetic acid

Structural Information

Molecular Formula
C8H9NO5S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)N)OCC(=O)O
InChI
InChI=1S/C8H9NO5S/c9-15(12,13)7-3-1-2-6(4-7)14-5-8(10)11/h1-4H,5H2,(H,10,11)(H2,9,12,13)
InChIKey
CIRBZGQMKUVWRI-UHFFFAOYSA-N
Compound name
2-(3-sulfamoylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

231.02014 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.02742 145.2
[M+Na]+ 254.00936 152.8
[M-H]- 230.01286 147.3
[M+NH4]+ 249.05396 162.0
[M+K]+ 269.98330 150.3
[M+H-H2O]+ 214.01740 139.3
[M+HCOO]- 276.01834 162.5
[M+CH3COO]- 290.03399 184.2
[M+Na-2H]- 251.99481 148.9
[M]+ 231.01959 147.4
[M]- 231.02069 147.4
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