CID 74342

3-benzyloxybenzaldehyde

Structural Information

Molecular Formula
C14H12O2
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)C=O
InChI
InChI=1S/C14H12O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-10H,11H2
InChIKey
JAICGBJIBWDEIZ-UHFFFAOYSA-N
Compound name
3-phenylmethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2013
Patents

212.08372 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09100 145.0
[M+Na]+ 235.07294 152.8
[M-H]- 211.07644 151.8
[M+NH4]+ 230.11754 163.5
[M+K]+ 251.04688 149.4
[M+H-H2O]+ 195.08098 137.7
[M+HCOO]- 257.08192 170.1
[M+CH3COO]- 271.09757 186.4
[M+Na-2H]- 233.05839 152.4
[M]+ 212.08317 146.6
[M]- 212.08427 146.6
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