CID 13630722

103318-75-8

Structural Information

Molecular Formula

C₉H₇Cl₂FO₂

SMILES

CCOC(=O)C1=CC(=C(C=C1Cl)Cl)F

InChI

InChI=1S/C9H7Cl2FO2/c1-2-14-9(13)5-3-8(12)7(11)4-6(5)10/h3-4H,2H2,1H3

InChIKey

FHPCKNJINJXSIC-UHFFFAOYSA-N

Compound name

ethyl 2,4-dichloro-5-fluorobenzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 25
Patents: 235.98071 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	236.98799	140.1
[M+Na]+	258.96993	151.6
[M-H]-	234.97343	142.7
[M+NH4]+	254.01453	160.0
[M+K]+	274.94387	146.8
[M+H-H2O]+	218.97797	135.9
[M+HCOO]-	280.97891	153.8
[M+CH3COO]-	294.99456	189.3
[M+Na-2H]-	256.95538	143.6
[M]+	235.98016	144.7
[M]-	235.98126	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe