CID 98097

Benzoin methyl ether

Structural Information

Molecular Formula
C15H14O2
SMILES
COC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H14O2/c1-17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,15H,1H3
InChIKey
BQZJOQXSCSZQPS-UHFFFAOYSA-N
Compound name
2-methoxy-1,2-diphenylethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

105950
Patents

226.09938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10666 150.6
[M+Na]+ 249.08860 156.4
[M-H]- 225.09210 156.9
[M+NH4]+ 244.13320 167.9
[M+K]+ 265.06254 153.7
[M+H-H2O]+ 209.09664 143.0
[M+HCOO]- 271.09758 173.2
[M+CH3COO]- 285.11323 190.0
[M+Na-2H]- 247.07405 155.6
[M]+ 226.09883 150.8
[M]- 226.09993 150.8
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