CID 62225290

7550-04-1

Structural Information

Molecular Formula

C₁₀H₁₀ClFO₂

SMILES

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

InChI

InChI=1S/C10H10ClFO2/c1-2-14-10(13)9(11)7-3-5-8(12)6-4-7/h3-6,9H,2H2,1H3

InChIKey

LQIRIDDDKVDRFD-UHFFFAOYSA-N

Compound name

ethyl 2-chloro-2-(4-fluorophenyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 216.03534 Da
Monoisotopic Mass: 2.9
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]+	217.04262	141.2
[M+Na]+	239.02456	149.8
[M-H]-	215.02806	143.6
[M+NH4]+	234.06916	160.8
[M+K]+	254.99850	146.6
[M+H-H2O]+	199.03260	135.6
[M+HCOO]-	261.03354	158.6
[M+CH3COO]-	275.04919	186.2
[M+Na-2H]-	237.01001	144.8
[M]+	216.03479	143.7
[M]-	216.03589	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe