CID 2782496

Methyl 3-chloro-2,2,3,3-tetrafluoropropionate

Structural Information

Molecular Formula

C₄H₃ClF₄O₂

SMILES

COC(=O)C(C(F)(F)Cl)(F)F

InChI

InChI=1S/C4H3ClF4O2/c1-11-2(10)3(6,7)4(5,8)9/h1H3

InChIKey

YHMRYDXPCZSESQ-UHFFFAOYSA-N

Compound name

methyl 3-chloro-2,2,3,3-tetrafluoropropanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 193.97577 Da
Monoisotopic Mass: 2.2
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]+	194.983046	126.7
[M+Na]+	216.964988	136.7
[M-H]-	192.968494	122.6
[M+NH4]+	212.009593	147.1
[M+K]+	232.938928	134.7
[M+H-H2O]+	176.973030	120.9
[M+HCOO]-	238.973971	139.2
[M+CH3COO]-	252.989621	180.2
[M+Na-2H]-	214.950436	132.7
[M]+	193.97522142	124.6
[M]-	193.97631858	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe