CID 231743

Benzoic acid biphenyl-4-yl ester

Structural Information

Molecular Formula
C19H14O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H14O2/c20-19(17-9-5-2-6-10-17)21-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H
InChIKey
CINHWMYRCOGYIX-UHFFFAOYSA-N
Compound name
(4-phenylphenyl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

274.09937 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10665 163.1
[M+Na]+ 297.08859 169.7
[M-H]- 273.09209 172.6
[M+NH4]+ 292.13319 178.3
[M+K]+ 313.06253 165.1
[M+H-H2O]+ 257.09663 154.1
[M+HCOO]- 319.09757 186.6
[M+CH3COO]- 333.11322 175.1
[M+Na-2H]- 295.07404 168.9
[M]+ 274.09882 162.9
[M]- 274.09992 162.9
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