CID 110951

7126-15-0

Structural Information

Molecular Formula

C₃H₄Cl₂F₂

SMILES

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

InChI

InChI=1S/C3H4Cl2F2/c1-2(4)3(5,6)7/h2H,1H3

InChIKey

YUFORDGPFXRAEO-UHFFFAOYSA-N

Compound name

1,2-dichloro-1,1-difluoropropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 160
Patents: 147.9658 Da
Monoisotopic Mass: 2.6
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]+	148.97308	118.8
[M+Na]+	170.95502	128.6
[M-H]-	146.95852	116.4
[M+NH4]+	165.99962	141.4
[M+K]+	186.92896	125.2
[M+H-H2O]+	130.96306	115.4
[M+HCOO]-	192.96400	129.4
[M+CH3COO]-	206.97965	173.9
[M+Na-2H]-	168.94047	124.8
[M]+	147.96525	118.0
[M]-	147.96635	118.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe