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]+ 289.122296 167.5
[M+Na]+ 311.104238 174.6
[M-H]- 287.107744 177.2
[M+NH4]+ 306.148843 182.4
[M+K]+ 327.078178 169.7
[M+H-H2O]+ 271.112280 158.4
[M+HCOO]- 333.113221 190.6
[M+CH3COO]- 347.128871 179.4
[M+Na-2H]- 309.089686 172.0
[M]+ 288.11447142 168.0
[M]- 288.11556858 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