CID 89246

19916-65-5

Structural Information

Molecular Formula

C₇H₁₀Cl₂

SMILES

C1CC2CC1CC2(Cl)Cl

InChI

InChI=1S/C7H10Cl2/c8-7(9)4-5-1-2-6(7)3-5/h5-6H,1-4H2

InChIKey

AVUURMDQMOTMIU-UHFFFAOYSA-N

Compound name

2,2-dichlorobicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 164.01596 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]+	165.02324	137.1
[M+Na]+	187.00518	146.9
[M-H]-	163.00868	139.3
[M+NH4]+	182.04978	165.8
[M+K]+	202.97912	141.7
[M+H-H2O]+	147.01322	134.7
[M+HCOO]-	209.01416	149.1
[M+CH3COO]-	223.02981	150.7
[M+Na-2H]-	184.99063	141.0
[M]+	164.01541	137.0
[M]-	164.01651	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe