CID 6912133

Sodium phenyl maleate

Structural Information

Molecular Formula
C10H8O4
SMILES
C1=CC=C(C=C1)OC(=O)/C=C\C(=O)O
InChI
InChI=1S/C10H8O4/c11-9(12)6-7-10(13)14-8-4-2-1-3-5-8/h1-7H,(H,11,12)/b7-6-
InChIKey
GPTNZCCQHNGXMS-SREVYHEPSA-N
Compound name
(Z)-4-oxo-4-phenoxybut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1089
Patents

192.04225 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 138.5
[M+Na]+ 215.03147 145.4
[M-H]- 191.03497 140.7
[M+NH4]+ 210.07607 156.9
[M+K]+ 231.00541 143.6
[M+H-H2O]+ 175.03951 132.7
[M+HCOO]- 237.04045 160.8
[M+CH3COO]- 251.05610 177.6
[M+Na-2H]- 213.01692 143.3
[M]+ 192.04170 139.1
[M]- 192.04280 139.1
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