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 146.5
[M+Na]+ 235.07294 161.9
[M+NH4]+ 230.11754 155.5
[M+K]+ 251.04688 153.7
[M-H]- 211.07644 151.0
[M+Na-2H]- 233.05839 156.3
[M]+ 212.08317 150.1
[M]- 212.08427 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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