CID 878362

56979-56-7

Structural Information

Molecular Formula
C14H12O3
SMILES
C1=CC=C(C=C1)COC2=CC(=C(C=C2)O)C=O
InChI
InChI=1S/C14H12O3/c15-9-12-8-13(6-7-14(12)16)17-10-11-4-2-1-3-5-11/h1-9,16H,10H2
InChIKey
QIQZAISWDRNIFG-UHFFFAOYSA-N
Compound name
2-hydroxy-5-phenylmethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

127
Patents

228.07864 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08592 149.7
[M+Na]+ 251.06786 164.6
[M+NH4]+ 246.11246 158.1
[M+K]+ 267.04180 157.0
[M-H]- 227.07136 153.8
[M+Na-2H]- 249.05331 159.0
[M]+ 228.07809 153.1
[M]- 228.07919 153.1
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