CID 110912

Benzoin isopropyl ether

Structural Information

Molecular Formula
C17H18O2
SMILES
CC(C)OC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H18O2/c1-13(2)19-17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14/h3-13,17H,1-2H3
InChIKey
MSAHTMIQULFMRG-UHFFFAOYSA-N
Compound name
1,2-diphenyl-2-propan-2-yloxyethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

72182
Patents

254.13068 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13796 159.7
[M+Na]+ 277.11990 173.2
[M+NH4]+ 272.16450 168.2
[M+K]+ 293.09384 166.1
[M-H]- 253.12340 164.0
[M+Na-2H]- 275.10535 168.7
[M]+ 254.13013 162.9
[M]- 254.13123 162.9
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