CID 14364

4-biphenylglyoxal hydrate

Structural Information

Molecular Formula
C14H12O3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C(O)O
InChI
InChI=1S/C14H12O3/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,14,16-17H
InChIKey
DNYMAUICCMLWCF-UHFFFAOYSA-N
Compound name
2,2-dihydroxy-1-(4-phenylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

228.07864 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08592 149.4
[M+Na]+ 251.06786 155.6
[M-H]- 227.07136 153.5
[M+NH4]+ 246.11246 165.5
[M+K]+ 267.04180 152.1
[M+H-H2O]+ 211.07590 142.6
[M+HCOO]- 273.07684 169.6
[M+CH3COO]- 287.09249 185.2
[M+Na-2H]- 249.05331 153.4
[M]+ 228.07809 147.4
[M]- 228.07919 147.4
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