CID 922972

[1,1'-biphenyl]-4-yl 4-methoxybenzoate

Structural Information

Molecular Formula
C20H16O3
SMILES
COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H16O3/c1-22-18-11-9-17(10-12-18)20(21)23-19-13-7-16(8-14-19)15-5-3-2-4-6-15/h2-14H,1H3
InChIKey
QXSYNKWEBROFDJ-UHFFFAOYSA-N
Compound name
(4-phenylphenyl) 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

304.10995 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11723 170.9
[M+Na]+ 327.09917 177.8
[M-H]- 303.10267 180.6
[M+NH4]+ 322.14377 185.1
[M+K]+ 343.07311 173.7
[M+H-H2O]+ 287.10721 161.5
[M+HCOO]- 349.10815 194.3
[M+CH3COO]- 363.12380 203.8
[M+Na-2H]- 325.08462 175.4
[M]+ 304.10940 172.8
[M]- 304.11050 172.8
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