CID 14062074

4,4,4-trifluorocrotonoyl chloride

Structural Information

Molecular Formula

C₄H₂ClF₃O

SMILES

C(=C/C(F)(F)F)\C(=O)Cl

InChI

InChI=1S/C4H2ClF3O/c5-3(9)1-2-4(6,7)8/h1-2H/b2-1+

InChIKey

DUTDALJAKWGZSA-OWOJBTEDSA-N

Compound name

(E)-4,4,4-trifluorobut-2-enoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 157.97462 Da
Monoisotopic Mass: 2.1
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]+	158.981896	121.1
[M+Na]+	180.963838	131.0
[M-H]-	156.967344	118.0
[M+NH4]+	176.008443	142.9
[M+K]+	196.937778	127.9
[M+H-H2O]+	140.971880	116.0
[M+HCOO]-	202.972821	136.1
[M+CH3COO]-	216.988471	173.3
[M+Na-2H]-	178.949286	126.8
[M]+	157.97407142	118.5
[M]-	157.97516858	118.5

Literature stripe

literature stripe

Patent stripe

patents stripe