CID 11009340

37021-34-4

Structural Information

Molecular Formula

C₃H₃Cl₄FO

SMILES

COC(C(Cl)(Cl)Cl)(F)Cl

InChI

InChI=1S/C3H3Cl4FO/c1-9-3(7,8)2(4,5)6/h1H3

InChIKey

WMHOLVCTBNVLOE-UHFFFAOYSA-N

Compound name

1,1,1,2-tetrachloro-2-fluoro-2-methoxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 213.8922 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]+	214.89948	135.1
[M+Na]+	236.88142	144.6
[M-H]-	212.88492	131.9
[M+NH4]+	231.92602	154.3
[M+K]+	252.85536	140.3
[M+H-H2O]+	196.88946	133.6
[M+HCOO]-	258.89040	135.4
[M+CH3COO]-	272.90605	184.4
[M+Na-2H]-	234.86687	140.5
[M]+	213.89165	135.5
[M]-	213.89275	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe