CID 15231

2-chloroethyl fluoroacetate

Structural Information

Molecular Formula

C₄H₆ClFO₂

SMILES

C(CCl)OC(=O)CF

InChI

InChI=1S/C4H6ClFO2/c5-1-2-8-4(7)3-6/h1-3H2

InChIKey

CWHHGNAXXOPUIF-UHFFFAOYSA-N

Compound name

2-chloroethyl 2-fluoroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	121.3
[M+Na]+	162.99325	130.3
[M-H]-	138.99675	120.5
[M+NH4]+	158.03785	143.9
[M+K]+	178.96719	128.8
[M+H-H2O]+	123.00129	117.3
[M+HCOO]-	185.00223	140.0
[M+CH3COO]-	199.01788	171.0
[M+Na-2H]-	160.97870	127.4
[M]+	140.00348	123.9
[M]-	140.00458	123.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.