CID 570

2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid

Structural Information

Molecular Formula
C12H10O4
SMILES
C1=CC=C(C=C1)C(=CC=CC(=O)C(=O)O)O
InChI
InChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-8,13H,(H,15,16)
InChIKey
YOVXRIACERVBAG-UHFFFAOYSA-N
Compound name
6-hydroxy-2-oxo-6-phenylhexa-3,5-dienoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

27
References

698
Patents

218.0579 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06518 147.1
[M+Na]+ 241.04712 152.7
[M-H]- 217.05062 147.7
[M+NH4]+ 236.09172 163.6
[M+K]+ 257.02106 149.5
[M+H-H2O]+ 201.05516 141.3
[M+HCOO]- 263.05610 166.4
[M+CH3COO]- 277.07175 181.2
[M+Na-2H]- 239.03257 149.1
[M]+ 218.05735 145.2
[M]- 218.05845 145.2
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

patents stripe