CID 34539

Norbornane, 2-chloro-

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

92
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

literature stripe

Patent stripe

patents stripe