CID 171496

56177-76-5

Structural Information

Molecular Formula

C₁₀H₈Cl₂F₂O₂

SMILES

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

InChI

InChI=1S/C10H8Cl2F2O2/c1-2-16-9(15)10(13,14)6-3-4-7(11)8(12)5-6/h3-5H,2H2,1H3

InChIKey

GEGREBJUAOJJTH-UHFFFAOYSA-N

Compound name

ethyl 2-(3,4-dichlorophenyl)-2,2-difluoroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 267.98694 Da
Monoisotopic Mass: 4.1
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]+	268.99422	147.7
[M+Na]+	290.97616	158.3
[M-H]-	266.97966	148.7
[M+NH4]+	286.02076	166.0
[M+K]+	306.95010	153.1
[M+H-H2O]+	250.98420	142.4
[M+HCOO]-	312.98514	158.5
[M+CH3COO]-	327.00079	194.1
[M+Na-2H]-	288.96161	151.4
[M]+	267.98639	150.7
[M]-	267.98749	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe