CID 23234995

1,3-dichloro-2-(difluoromethoxy)propane

Structural Information

Molecular Formula

C₄H₆Cl₂F₂O

SMILES

C(C(CCl)OC(F)F)Cl

InChI

InChI=1S/C4H6Cl2F2O/c5-1-3(2-6)9-4(7)8/h3-4H,1-2H2

InChIKey

WNKHVPXZAJNBEM-UHFFFAOYSA-N

Compound name

1,3-dichloro-2-(difluoromethoxy)propane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.97638 Da
Monoisotopic Mass: 2.3
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]+	178.98366	125.8
[M+Na]+	200.96560	134.6
[M-H]-	176.96910	123.1
[M+NH4]+	196.01020	147.1
[M+K]+	216.93954	131.5
[M+H-H2O]+	160.97364	121.8
[M+HCOO]-	222.97458	137.1
[M+CH3COO]-	236.99023	179.2
[M+Na-2H]-	198.95105	129.6
[M]+	177.97583	126.9
[M]-	177.97693	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.