CID 90793

22499-11-2

Structural Information

Molecular Formula
C18H20O2
SMILES
CCCCOC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H20O2/c1-2-3-14-20-18(16-12-8-5-9-13-16)17(19)15-10-6-4-7-11-15/h4-13,18H,2-3,14H2,1H3
InChIKey
DZZAHLOABNWIFA-UHFFFAOYSA-N
Compound name
2-butoxy-1,2-diphenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21088
Patents

268.14633 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15361 164.7
[M+Na]+ 291.13555 169.2
[M-H]- 267.13905 170.4
[M+NH4]+ 286.18015 180.3
[M+K]+ 307.10949 165.8
[M+H-H2O]+ 251.14359 156.5
[M+HCOO]- 313.14453 186.3
[M+CH3COO]- 327.16018 198.9
[M+Na-2H]- 289.12100 168.1
[M]+ 268.14578 166.0
[M]- 268.14688 166.0
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