CID 12264658

4-hydroxy-[1,1'-biphenyl]-3-carbaldehyde

Structural Information

Molecular Formula
C13H10O2
SMILES
C1=CC=C(C=C1)C2=CC(=C(C=C2)O)C=O
InChI
InChI=1S/C13H10O2/c14-9-12-8-11(6-7-13(12)15)10-4-2-1-3-5-10/h1-9,15H
InChIKey
NAUBSKHQFFCEMQ-UHFFFAOYSA-N
Compound name
2-hydroxy-5-phenylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

436
Patents

198.06808 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07536 140.3
[M+Na]+ 221.05730 149.1
[M-H]- 197.06080 146.3
[M+NH4]+ 216.10190 159.0
[M+K]+ 237.03124 145.1
[M+H-H2O]+ 181.06534 133.8
[M+HCOO]- 243.06628 164.3
[M+CH3COO]- 257.08193 181.9
[M+Na-2H]- 219.04275 147.2
[M]+ 198.06753 140.2
[M]- 198.06863 140.2
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