CID 10149016

2-(trifluoromethyl)prop-2-enoyl chloride

Structural Information

Molecular Formula

C₄H₂ClF₃O

SMILES

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

InChI

InChI=1S/C4H2ClF3O/c1-2(3(5)9)4(6,7)8/h1H2

InChIKey

HXSIAJREWWAACY-UHFFFAOYSA-N

Compound name

2-(trifluoromethyl)prop-2-enoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 374
Patents: 157.97462 Da
Monoisotopic Mass: 2.3
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]+	158.981896	120.2
[M+Na]+	180.963838	129.8
[M-H]-	156.967344	117.2
[M+NH4]+	176.008443	141.9
[M+K]+	196.937778	127.2
[M+H-H2O]+	140.971880	115.2
[M+HCOO]-	202.972821	134.3
[M+CH3COO]-	216.988471	174.8
[M+Na-2H]-	178.949286	124.8
[M]+	157.97407142	117.1
[M]-	157.97516858	117.1

Literature stripe

literature stripe

Patent stripe

patents stripe