CID 87607262

1447941-07-2

Structural Information

Molecular Formula

C₇H₉ClF₂O₂

SMILES

C1CC(CCC1OC(=O)Cl)(F)F

InChI

InChI=1S/C7H9ClF2O2/c8-6(11)12-5-1-3-7(9,10)4-2-5/h5H,1-4H2

InChIKey

XCJZNTLWLONCKI-UHFFFAOYSA-N

Compound name

(4,4-difluorocyclohexyl) carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 198.02591 Da
Monoisotopic Mass: 3.1
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]+	199.03319	134.6
[M+Na]+	221.01513	142.5
[M-H]-	197.01863	135.3
[M+NH4]+	216.05973	156.6
[M+K]+	236.98907	140.0
[M+H-H2O]+	181.02317	129.4
[M+HCOO]-	243.02411	148.6
[M+CH3COO]-	257.03976	179.7
[M+Na-2H]-	219.00058	138.6
[M]+	198.02536	131.2
[M]-	198.02646	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe