CID 193436

7383-14-4

Structural Information

Molecular Formula
C8H9NO5S
SMILES
C1=CC(=CC=C1OCC(=O)O)S(=O)(=O)N
InChI
InChI=1S/C8H9NO5S/c9-15(12,13)7-3-1-6(2-4-7)14-5-8(10)11/h1-4H,5H2,(H,10,11)(H2,9,12,13)
InChIKey
IIILLPUTZFBNTB-UHFFFAOYSA-N
Compound name
2-(4-sulfamoylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

231.02014 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.027416 145.2
[M+Na]+ 254.009358 152.8
[M-H]- 230.012864 147.3
[M+NH4]+ 249.053963 162.0
[M+K]+ 269.983298 150.3
[M+H-H2O]+ 214.017400 139.3
[M+HCOO]- 276.018341 162.5
[M+CH3COO]- 290.033991 184.2
[M+Na-2H]- 251.994806 148.9
[M]+ 231.01959142 147.4
[M]- 231.02068858 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

literature stripe

Patent stripe

patents stripe