CID 579415

(1,1'-biphenyl)-4-yl 2-fluorobenzoate

Structural Information

Molecular Formula
C19H13FO2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C19H13FO2/c20-18-9-5-4-8-17(18)19(21)22-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H
InChIKey
MJUWGKGNELOGFC-UHFFFAOYSA-N
Compound name
(4-phenylphenyl) 2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.08997 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09725 166.2
[M+Na]+ 315.07919 173.8
[M-H]- 291.08269 174.7
[M+NH4]+ 310.12379 180.9
[M+K]+ 331.05313 168.7
[M+H-H2O]+ 275.08723 156.3
[M+HCOO]- 337.08817 188.7
[M+CH3COO]- 351.10382 178.0
[M+Na-2H]- 313.06464 170.6
[M]+ 292.08942 165.4
[M]- 292.09052 165.4
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

No patent data available for this compound.