CID 55298433

6-(chloromethyl)bicyclo[3.1.0]hexane

Structural Information

Molecular Formula
C7H11Cl
SMILES
C1CC2C(C1)C2CCl
InChI
InChI=1S/C7H11Cl/c8-4-7-5-2-1-3-6(5)7/h5-7H,1-4H2
InChIKey
DMRQATARJJCRJU-UHFFFAOYSA-N
Compound name
6-(chloromethyl)bicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.05493 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.06221 124.9
[M+Na]+ 153.04415 135.4
[M-H]- 129.04765 129.8
[M+NH4]+ 148.08875 145.6
[M+K]+ 169.01809 131.3
[M+H-H2O]+ 113.05219 120.4
[M+HCOO]- 175.05313 143.0
[M+CH3COO]- 189.06878 175.2
[M+Na-2H]- 151.02960 130.6
[M]+ 130.05438 127.5
[M]- 130.05548 127.5
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.