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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.02324 129.1
[M+Na]+ 187.00518 139.3
[M-H]- 163.00868 133.4
[M+NH4]+ 182.04978 148.9
[M+K]+ 202.97912 135.3
[M+H-H2O]+ 147.01322 125.9
[M+HCOO]- 209.01416 140.2
[M+CH3COO]- 223.02981 142.3
[M+Na-2H]- 184.99063 136.3
[M]+ 164.01541 130.9
[M]- 164.01651 130.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.