CID 22149745

Ethyl 2-chloro-4,5-difluorobenzoate

Structural Information

Molecular Formula

C₉H₇ClF₂O₂

SMILES

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

InChI

InChI=1S/C9H7ClF2O2/c1-2-14-9(13)5-3-7(11)8(12)4-6(5)10/h3-4H,2H2,1H3

InChIKey

OFACIKFWNCTFCU-UHFFFAOYSA-N

Compound name

ethyl 2-chloro-4,5-difluorobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 220.01027 Da
Monoisotopic Mass: 3.0
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]+	221.01755	141.6
[M+Na]+	242.99949	153.8
[M+NH4]+	238.04409	148.6
[M+K]+	258.97343	147.6
[M-H]-	219.00299	140.4
[M+Na-2H]-	240.98494	146.7
[M]+	220.00972	143.1
[M]-	220.01082	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe