CID 10002

3,3-dichloro-1,1,1-trifluoropropane

Structural Information

Molecular Formula

C₃H₃Cl₂F₃

SMILES

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

InChI

InChI=1S/C3H3Cl2F3/c4-2(5)1-3(6,7)8/h2H,1H2

InChIKey

PLTIOZOVDUUXDQ-UHFFFAOYSA-N

Compound name

3,3-dichloro-1,1,1-trifluoropropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 868
Patents: 165.95639 Da
Monoisotopic Mass: 3.0
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	120.7
[M+Na]+	188.94561	130.6
[M-H]-	164.94911	117.0
[M+NH4]+	183.99021	142.5
[M+K]+	204.91955	126.8
[M+H-H2O]+	148.95365	116.4
[M+HCOO]-	210.95459	130.3
[M+CH3COO]-	224.97024	176.0
[M+Na-2H]-	186.93106	126.1
[M]+	165.95584	118.7
[M]-	165.95694	118.7

Literature stripe

literature stripe

Patent stripe

patents stripe