CID 2338770

4-fluorophenyl 4-fluorobenzoate

Structural Information

Molecular Formula
C13H8F2O2
SMILES
C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)F)F
InChI
InChI=1S/C13H8F2O2/c14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12/h1-8H
InChIKey
RQTHSDZCKHPFMS-UHFFFAOYSA-N
Compound name
(4-fluorophenyl) 4-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

234.04924 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05652 146.3
[M+Na]+ 257.03846 155.4
[M-H]- 233.04196 150.9
[M+NH4]+ 252.08306 164.0
[M+K]+ 273.01240 151.8
[M+H-H2O]+ 217.04650 137.5
[M+HCOO]- 279.04744 168.6
[M+CH3COO]- 293.06309 190.1
[M+Na-2H]- 255.02391 151.1
[M]+ 234.04869 145.1
[M]- 234.04979 145.1
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