CID 120252

460-70-8

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C3HCl2F3/c4-2(5)1-3(6,7)8/h1H

InChIKey

ISCYUDAHBJMFNT-UHFFFAOYSA-N

Compound name

1,1-dichloro-3,3,3-trifluoroprop-1-ene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 997
Patents: 163.94073 Da
Monoisotopic Mass: 3.1
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]+	164.94801	119.6
[M+Na]+	186.92995	129.9
[M-H]-	162.93345	116.0
[M+NH4]+	181.97455	141.5
[M+K]+	202.90389	125.5
[M+H-H2O]+	146.93799	115.4
[M+HCOO]-	208.93893	129.5
[M+CH3COO]-	222.95458	174.3
[M+Na-2H]-	184.91540	125.1
[M]+	163.94018	116.8
[M]-	163.94128	116.8

Literature stripe

literature stripe

Patent stripe

patents stripe