CID 116662

64712-27-2

Structural Information

Molecular Formula

C₃H₂Cl₂F₄

SMILES

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

InChI

InChI=1S/C3H2Cl2F4/c4-2(5,6)1-3(7,8)9/h1H2

InChIKey

JBSUEXFKGWKQFC-UHFFFAOYSA-N

Compound name

1,1-dichloro-1,3,3,3-tetrafluoropropane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 190
Patents: 183.94698 Da
Monoisotopic Mass: 3.3
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]+	184.95426	123.2
[M+Na]+	206.93620	133.8
[M-H]-	182.93970	118.5
[M+NH4]+	201.98080	144.3
[M+K]+	222.91014	129.5
[M+H-H2O]+	166.94424	118.2
[M+HCOO]-	228.94518	131.2
[M+CH3COO]-	242.96083	178.5
[M+Na-2H]-	204.92165	129.9
[M]+	183.94643	120.0
[M]-	183.94753	120.0

Literature stripe

literature stripe

Patent stripe

patents stripe