CID 5271790

(z)-3-(benzenesulfonyl)-2-hydroxy-prop-2-enoic acid

Structural Information

Molecular Formula
C9H8O5S
SMILES
C1=CC=C(C=C1)S(=O)(=O)/C=C(/C(=O)O)\O
InChI
InChI=1S/C9H8O5S/c10-8(9(11)12)6-15(13,14)7-4-2-1-3-5-7/h1-6,10H,(H,11,12)/b8-6-
InChIKey
NXFLZFDVRUOVNH-VURMDHGXSA-N
Compound name
(Z)-3-(benzenesulfonyl)-2-hydroxyprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.00925 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.01653 145.4
[M+Na]+ 250.99847 152.4
[M-H]- 227.00197 146.5
[M+NH4]+ 246.04307 161.9
[M+K]+ 266.97241 149.2
[M+H-H2O]+ 211.00651 140.2
[M+HCOO]- 273.00745 159.9
[M+CH3COO]- 287.02310 178.4
[M+Na-2H]- 248.98392 148.3
[M]+ 228.00870 146.2
[M]- 228.00980 146.2
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

No patent data available for this compound.