CID 101668

Ethyl chlorofluoroacetate

Structural Information

Molecular Formula

C₄H₆ClFO₂

SMILES

CCOC(=O)C(F)Cl

InChI

InChI=1S/C4H6ClFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3

InChIKey

WUHVJSONZHSDFC-UHFFFAOYSA-N

Compound name

ethyl 2-chloro-2-fluoroacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 358
Patents: 140.00403 Da
Monoisotopic Mass: 1.1
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]+	141.01131	121.2
[M+Na]+	162.99325	130.0
[M-H]-	138.99675	120.6
[M+NH4]+	158.03785	143.8
[M+K]+	178.96719	128.9
[M+H-H2O]+	123.00129	117.3
[M+HCOO]-	185.00223	138.9
[M+CH3COO]-	199.01788	171.8
[M+Na-2H]-	160.97870	126.1
[M]+	140.00348	123.2
[M]-	140.00458	123.2

Literature stripe

literature stripe

Patent stripe

patents stripe