CID 8400

Benzoin

Structural Information

Molecular Formula
C14H12O2
SMILES
C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
InChIKey
ISAOCJYIOMOJEB-UHFFFAOYSA-N
Compound name
2-hydroxy-1,2-diphenylethanone
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

469
References

69311
Patents

212.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09100 147.1
[M+Na]+ 235.07294 161.0
[M+NH4]+ 230.11754 155.9
[M+K]+ 251.04688 154.1
[M-H]- 211.07644 151.2
[M+Na-2H]- 233.05839 156.6
[M]+ 212.08317 150.3
[M]- 212.08427 150.3
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