CID 34539

29342-53-8

Structural Information

Molecular Formula
C7H11Cl
SMILES
C1CC2CC1CC2Cl
InChI
InChI=1S/C7H11Cl/c8-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2
InChIKey
PJWBUKHIZPKRJF-UHFFFAOYSA-N
Compound name
2-chlorobicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

109
Patents

130.05493 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.06221 129.6
[M+Na]+ 153.04415 138.2
[M-H]- 129.04765 132.3
[M+NH4]+ 148.08875 157.6
[M+K]+ 169.01809 134.8
[M+H-H2O]+ 113.05219 126.3
[M+HCOO]- 175.05313 146.8
[M+CH3COO]- 189.06878 143.8
[M+Na-2H]- 151.02960 133.5
[M]+ 130.05438 128.6
[M]- 130.05548 128.6
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.