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]+ 145.07785 128.2
[M+Na]+ 167.05979 137.4
[M-H]- 143.06329 133.0
[M+NH4]+ 162.10439 146.8
[M+K]+ 183.03373 133.7
[M+H-H2O]+ 127.06783 123.4
[M+HCOO]- 189.06877 144.4
[M+CH3COO]- 203.08442 178.2
[M+Na-2H]- 165.04524 134.9
[M]+ 144.07002 129.3
[M]- 144.07112 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.