CID 12627062

7-(chloromethyl)bicyclo[4.1.0]heptane

Structural Information

Molecular Formula
C8H13Cl
SMILES
C1CCC2C(C1)C2CCl
InChI
InChI=1S/C8H13Cl/c9-5-8-6-3-1-2-4-7(6)8/h6-8H,1-5H2
InChIKey
CQVNYAMKXRLNFC-UHFFFAOYSA-N
Compound name
7-(chloromethyl)bicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07057 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.077846 128.2
[M+Na]+ 167.059788 137.4
[M-H]- 143.063294 133.0
[M+NH4]+ 162.104393 146.8
[M+K]+ 183.033728 133.7
[M+H-H2O]+ 127.067830 123.4
[M+HCOO]- 189.068771 144.4
[M+CH3COO]- 203.084421 178.2
[M+Na-2H]- 165.045236 134.9
[M]+ 144.07002142 129.3
[M]- 144.07111858 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.