CID 5097335

Methyl 4'-formyl[1,1'-biphenyl]-3-carboxylate

Structural Information

Molecular Formula
C15H12O3
SMILES
COC(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C15H12O3/c1-18-15(17)14-4-2-3-13(9-14)12-7-5-11(10-16)6-8-12/h2-10H,1H3
InChIKey
RSHKDQKNWSRIRC-UHFFFAOYSA-N
Compound name
methyl 3-(4-formylphenyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

240.07864 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 151.5
[M+Na]+ 263.06786 159.8
[M-H]- 239.07136 158.7
[M+NH4]+ 258.11246 169.0
[M+K]+ 279.04180 156.8
[M+H-H2O]+ 223.07590 144.1
[M+HCOO]- 285.07684 175.6
[M+CH3COO]- 299.09249 192.0
[M+Na-2H]- 261.05331 156.5
[M]+ 240.07809 153.9
[M]- 240.07919 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe