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

32
Patents

212.08372 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.090996 145.0
[M+Na]+ 235.072938 153.1
[M-H]- 211.076444 151.0
[M+NH4]+ 230.117543 163.1
[M+K]+ 251.046878 149.4
[M+H-H2O]+ 195.080980 138.4
[M+HCOO]- 257.081921 167.6
[M+CH3COO]- 271.097571 185.8
[M+Na-2H]- 233.058386 150.1
[M]+ 212.08317142 144.6
[M]- 212.08426858 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