CID 69616

677-70-3

Structural Information

Molecular Formula

C₃H₂Cl₄F₂O₂

SMILES

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

InChI

InChI=1S/C3H2Cl4F2O2/c4-2(5,8)1(10,11)3(6,7)9/h10-11H

InChIKey

ADCWDJKTUIBCPQ-UHFFFAOYSA-N

Compound name

1,1,3,3-tetrachloro-1,3-difluoropropane-2,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 247.8777 Da
Monoisotopic Mass: 2.0
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]+	248.884976	136.9
[M+Na]+	270.866918	145.9
[M-H]-	246.870424	130.6
[M+NH4]+	265.911523	153.5
[M+K]+	286.840858	140.5
[M+H-H2O]+	230.874960	135.5
[M+HCOO]-	292.875901	132.7
[M+CH3COO]-	306.891551	184.9
[M+Na-2H]-	268.852366	142.2
[M]+	247.87715142	133.8
[M]-	247.87824858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.