CID 165662168

2110909-85-6

Structural Information

Molecular Formula

C₅H₈ClF₂NO

SMILES

CC(CN(C)C(=O)Cl)(F)F

InChI

InChI=1S/C5H8ClF2NO/c1-5(7,8)3-9(2)4(6)10/h3H2,1-2H3

InChIKey

SFSUBCXOJPWXOB-UHFFFAOYSA-N

Compound name

N-(2,2-difluoropropyl)-N-methylcarbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 171.02625 Da
Monoisotopic Mass: 1.8
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]+	172.03353	129.3
[M+Na]+	194.01547	137.7
[M-H]-	170.01897	128.7
[M+NH4]+	189.06007	151.0
[M+K]+	209.98941	136.7
[M+H-H2O]+	154.02351	124.1
[M+HCOO]-	216.02445	146.3
[M+CH3COO]-	230.04010	183.3
[M+Na-2H]-	192.00092	134.3
[M]+	171.02570	129.6
[M]-	171.02680	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.