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]+ 145.07785 134.4
[M+Na]+ 167.05979 142.5
[M-H]- 143.06329 136.9
[M+NH4]+ 162.10439 161.8
[M+K]+ 183.03373 138.9
[M+H-H2O]+ 127.06783 130.9
[M+HCOO]- 189.06877 151.3
[M+CH3COO]- 203.08442 148.2
[M+Na-2H]- 165.04524 137.7
[M]+ 144.07002 133.8
[M]- 144.07112 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