CID 20331928

2-(chloromethyl)bicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C8H13Cl
SMILES
C1CC2CC1CC2CCl
InChI
InChI=1S/C8H13Cl/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2
InChIKey
AJUNCBWYYOFIGU-UHFFFAOYSA-N
Compound name
2-(chloromethyl)bicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

144.07057 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.077846 134.4
[M+Na]+ 167.059788 142.5
[M-H]- 143.063294 136.9
[M+NH4]+ 162.104393 161.8
[M+K]+ 183.033728 138.9
[M+H-H2O]+ 127.067830 130.9
[M+HCOO]- 189.068771 151.3
[M+CH3COO]- 203.084421 148.2
[M+Na-2H]- 165.045236 137.7
[M]+ 144.07002142 133.8
[M]- 144.07111858 133.8
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

patents stripe