CID 257709

2,2-dichlorobicyclo(4.1,0)heptane

Structural Information

Molecular Formula

C₇H₁₀Cl₂

SMILES

C1CC2CC2C(C1)(Cl)Cl

InChI

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

InChIKey

MDFVNTKXKMMRJJ-UHFFFAOYSA-N

Compound name

2,2-dichlorobicyclo[4.1.0]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
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]+	165.023236	129.1
[M+Na]+	187.005178	139.3
[M-H]-	163.008684	133.4
[M+NH4]+	182.049783	148.9
[M+K]+	202.979118	135.3
[M+H-H2O]+	147.013220	125.9
[M+HCOO]-	209.014161	140.2
[M+CH3COO]-	223.029811	142.3
[M+Na-2H]-	184.990626	136.3
[M]+	164.01541142	130.9
[M]-	164.01650858	130.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.