CID 4512670

5-benzyl-2-hydroxybenzaldehyde

Structural Information

Molecular Formula
C14H12O2
SMILES
C1=CC=C(C=C1)CC2=CC(=C(C=C2)O)C=O
InChI
InChI=1S/C14H12O2/c15-10-13-9-12(6-7-14(13)16)8-11-4-2-1-3-5-11/h1-7,9-10,16H,8H2
InChIKey
FQNZXGZKHKUKRN-UHFFFAOYSA-N
Compound name
5-benzyl-2-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

212.08372 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09100 145.0
[M+Na]+ 235.07294 153.4
[M-H]- 211.07644 150.8
[M+NH4]+ 230.11754 163.1
[M+K]+ 251.04688 149.1
[M+H-H2O]+ 195.08098 138.3
[M+HCOO]- 257.08192 168.6
[M+CH3COO]- 271.09757 184.9
[M+Na-2H]- 233.05839 151.3
[M]+ 212.08317 145.2
[M]- 212.08427 145.2
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