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
7
Annotation Hits

469
References

112512
Patents

212.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.090996 146.2
[M+Na]+ 235.072938 152.0
[M-H]- 211.076444 151.4
[M+NH4]+ 230.117543 163.5
[M+K]+ 251.046878 148.7
[M+H-H2O]+ 195.080980 139.2
[M+HCOO]- 257.081921 167.8
[M+CH3COO]- 271.097571 184.4
[M+Na-2H]- 233.058386 151.4
[M]+ 212.08317142 144.3
[M]- 212.08426858 144.3
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