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

1
Patents

227.02522 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.03250 146.1
[M+Na]+ 250.01444 153.9
[M-H]- 226.01794 148.2
[M+NH4]+ 245.05904 163.2
[M+K]+ 265.98838 150.0
[M+H-H2O]+ 210.02248 140.4
[M+HCOO]- 272.02342 163.1
[M+CH3COO]- 286.03907 183.4
[M+Na-2H]- 247.99989 149.1
[M]+ 227.02467 146.5
[M]- 227.02577 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