CID 18758310

376348-75-3

Structural Information

Molecular Formula

C₇H₉ClF₂O

SMILES

C1CC(CCC1C(=O)Cl)(F)F

InChI

InChI=1S/C7H9ClF2O/c8-6(11)5-1-3-7(9,10)4-2-5/h5H,1-4H2

InChIKey

PJWULPCWPCVQKD-UHFFFAOYSA-N

Compound name

4,4-difluorocyclohexane-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 190
Patents: 182.031 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]+	183.03828	131.5
[M+Na]+	205.02022	139.4
[M-H]-	181.02372	132.2
[M+NH4]+	200.06482	154.1
[M+K]+	220.99416	136.4
[M+H-H2O]+	165.02826	126.5
[M+HCOO]-	227.02920	145.3
[M+CH3COO]-	241.04485	178.4
[M+Na-2H]-	203.00567	135.5
[M]+	182.03045	126.8
[M]-	182.03155	126.8

Literature stripe

literature stripe

Patent stripe

patents stripe