CID 101778

Benzoin ethyl ether

Structural Information

Molecular Formula
C16H16O2
SMILES
CCOC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H16O2/c1-2-18-16(14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12,16H,2H2,1H3
InChIKey
KMNCBSZOIQAUFX-UHFFFAOYSA-N
Compound name
2-ethoxy-1,2-diphenylethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

90017
Patents

240.11504 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 155.3
[M+Na]+ 263.10426 160.6
[M-H]- 239.10776 161.4
[M+NH4]+ 258.14886 172.1
[M+K]+ 279.07820 157.7
[M+H-H2O]+ 223.11230 147.5
[M+HCOO]- 285.11324 177.6
[M+CH3COO]- 299.12889 193.0
[M+Na-2H]- 261.08971 159.8
[M]+ 240.11449 155.9
[M]- 240.11559 155.9
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