CID 81551

2,2-dichloro-1,1,1-trifluoropropane

Structural Information

Molecular Formula

C₃H₃Cl₂F₃

SMILES

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

InChI

InChI=1S/C3H3Cl2F3/c1-2(4,5)3(6,7)8/h1H3

InChIKey

DCWQLZUJMHEDKD-UHFFFAOYSA-N

Compound name

2,2-dichloro-1,1,1-trifluoropropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 832
Patents: 165.95639 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]+	166.96367	121.3
[M+Na]+	188.94561	131.8
[M-H]-	164.94911	118.0
[M+NH4]+	183.99021	143.3
[M+K]+	204.91955	128.0
[M+H-H2O]+	148.95365	117.3
[M+HCOO]-	210.95459	130.3
[M+CH3COO]-	224.97024	175.6
[M+Na-2H]-	186.93106	128.5
[M]+	165.95584	119.3
[M]-	165.95694	119.3

Literature stripe

literature stripe

Patent stripe

patents stripe