CID 12264992

1-(2-hydroxy-5-phenylphenyl)ethan-1-one

Structural Information

Molecular Formula
C14H12O2
SMILES
CC(=O)C1=C(C=CC(=C1)C2=CC=CC=C2)O
InChI
InChI=1S/C14H12O2/c1-10(15)13-9-12(7-8-14(13)16)11-5-3-2-4-6-11/h2-9,16H,1H3
InChIKey
UJPXBWSJJVPTTJ-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-5-phenylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

212.08372 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09100 145.0
[M+Na]+ 235.07294 153.1
[M-H]- 211.07644 151.0
[M+NH4]+ 230.11754 163.1
[M+K]+ 251.04688 149.4
[M+H-H2O]+ 195.08098 138.4
[M+HCOO]- 257.08192 167.6
[M+CH3COO]- 271.09757 185.8
[M+Na-2H]- 233.05839 150.1
[M]+ 212.08317 144.6
[M]- 212.08427 144.6
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