CID 244375

7,7-dichlorobicyclo[4.1.0]heptane

Structural Information

Molecular Formula
C7H10Cl2
SMILES
C1CCC2C(C1)C2(Cl)Cl
InChI
InChI=1S/C7H10Cl2/c8-7(9)5-3-1-2-4-6(5)7/h5-6H,1-4H2
InChIKey
MBPSCGRETWPLSI-UHFFFAOYSA-N
Compound name
7,7-dichlorobicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

164.01596 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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

patents stripe