CID 2798219

4-fluorophenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C13H8ClFO2
SMILES
C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)F)Cl
InChI
InChI=1S/C13H8ClFO2/c14-12-4-2-1-3-11(12)13(16)17-10-7-5-9(15)6-8-10/h1-8H
InChIKey
FRFNREGZFUIBPK-UHFFFAOYSA-N
Compound name
(4-fluorophenyl) 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

250.01968 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.02696 149.0
[M+Na]+ 273.00890 158.8
[M-H]- 249.01240 154.8
[M+NH4]+ 268.05350 167.0
[M+K]+ 288.98284 153.9
[M+H-H2O]+ 233.01694 141.9
[M+HCOO]- 295.01788 167.8
[M+CH3COO]- 309.03353 191.1
[M+Na-2H]- 270.99435 154.0
[M]+ 250.01913 151.2
[M]- 250.02023 151.2
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