CID 9504126

156572-77-9

Structural Information

Molecular Formula
C9H9NO4S
SMILES
C1=CC(=CC=C1/C=C/C(=O)O)S(=O)(=O)N
InChI
InChI=1S/C9H9NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)(H2,10,13,14)/b6-3+
InChIKey
HEDUHTUYJZYWOJ-ZZXKWVIFSA-N
Compound name
(E)-3-(4-sulfamoylphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

227.02522 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.032496 146.1
[M+Na]+ 250.014438 153.9
[M-H]- 226.017944 148.2
[M+NH4]+ 245.059043 163.2
[M+K]+ 265.988378 150.0
[M+H-H2O]+ 210.022480 140.4
[M+HCOO]- 272.023421 163.1
[M+CH3COO]- 286.039071 183.4
[M+Na-2H]- 247.999886 149.1
[M]+ 227.02467142 146.5
[M]- 227.02576858 146.5
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