CID 226136

2-oxo-2-(4-phenylphenyl)acetic acid

Structural Information

Molecular Formula
C14H10O3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C(=O)O
InChI
InChI=1S/C14H10O3/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,16,17)
InChIKey
DRFCZRDAUHIVIG-UHFFFAOYSA-N
Compound name
2-oxo-2-(4-phenylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

226.06299 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.07027 147.7
[M+Na]+ 249.05221 154.6
[M-H]- 225.05571 153.2
[M+NH4]+ 244.09681 164.5
[M+K]+ 265.02615 151.4
[M+H-H2O]+ 209.06025 140.7
[M+HCOO]- 271.06119 169.6
[M+CH3COO]- 285.07684 186.8
[M+Na-2H]- 247.03766 152.2
[M]+ 226.06244 146.9
[M]- 226.06354 146.9
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