CID 24212501

2,4-dichlorobenzyl 2-fluorobenzoate

Structural Information

Molecular Formula
C14H9Cl2FO2
SMILES
C1=CC=C(C(=C1)C(=O)OCC2=C(C=C(C=C2)Cl)Cl)F
InChI
InChI=1S/C14H9Cl2FO2/c15-10-6-5-9(12(16)7-10)8-19-14(18)11-3-1-2-4-13(11)17/h1-7H,8H2
InChIKey
PIIBUECZJYSIRG-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl)methyl 2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.99637 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.00365 159.5
[M+Na]+ 320.98559 175.5
[M+NH4]+ 316.03019 168.1
[M+K]+ 336.95953 166.7
[M-H]- 296.98909 162.6
[M+Na-2H]- 318.97104 168.4
[M]+ 297.99582 163.4
[M]- 297.99692 163.4
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.