CID 1547785

4-methyl-benzoic acid biphenyl-4-yl ester

Structural Information

Molecular Formula
C20H16O2
SMILES
CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H16O2/c1-15-7-9-18(10-8-15)20(21)22-19-13-11-17(12-14-19)16-5-3-2-4-6-16/h2-14H,1H3
InChIKey
JEKZVVFJHBMTPY-UHFFFAOYSA-N
Compound name
(4-phenylphenyl) 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

288.11502 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12230 167.5
[M+Na]+ 311.10424 174.6
[M-H]- 287.10774 177.2
[M+NH4]+ 306.14884 182.4
[M+K]+ 327.07818 169.7
[M+H-H2O]+ 271.11228 158.4
[M+HCOO]- 333.11322 190.6
[M+CH3COO]- 347.12887 179.4
[M+Na-2H]- 309.08969 172.0
[M]+ 288.11447 168.0
[M]- 288.11557 168.0
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