CID 4651659

Diphenylmethyl propyl ether

Structural Information

Molecular Formula
C16H18O
SMILES
CCCOC(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H18O/c1-2-13-17-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3
InChIKey
RYBNGIBEGIRICU-UHFFFAOYSA-N
Compound name
[phenyl(propoxy)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

226.13577 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.14305 152.9
[M+Na]+ 249.12499 158.3
[M-H]- 225.12849 158.9
[M+NH4]+ 244.16959 170.5
[M+K]+ 265.09893 154.9
[M+H-H2O]+ 209.13303 145.2
[M+HCOO]- 271.13397 175.8
[M+CH3COO]- 285.14962 191.0
[M+Na-2H]- 247.11044 158.6
[M]+ 226.13522 153.4
[M]- 226.13632 153.4
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