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 158.4
[M+Na]+ 320.98559 169.1
[M-H]- 296.98909 163.6
[M+NH4]+ 316.03019 175.3
[M+K]+ 336.95953 162.7
[M+H-H2O]+ 280.99363 152.0
[M+HCOO]- 342.99457 171.8
[M+CH3COO]- 357.01022 199.7
[M+Na-2H]- 318.97104 161.5
[M]+ 297.99582 162.7
[M]- 297.99692 162.7
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.