CID 3057447

Cyclol chloride

Structural Information

Molecular Formula
C8H11Cl
SMILES
C1CC2CC1C=C2CCl
InChI
InChI=1S/C8H11Cl/c9-5-8-4-6-1-2-7(8)3-6/h4,6-7H,1-3,5H2
InChIKey
RDTFZLYUPAZUOE-UHFFFAOYSA-N
Compound name
2-(chloromethyl)bicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

142.05493 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.06221 132.1
[M+Na]+ 165.04415 141.4
[M-H]- 141.04765 135.0
[M+NH4]+ 160.08875 159.8
[M+K]+ 181.01809 137.6
[M+H-H2O]+ 125.05219 128.7
[M+HCOO]- 187.05313 150.5
[M+CH3COO]- 201.06878 146.6
[M+Na-2H]- 163.02960 136.5
[M]+ 142.05438 133.0
[M]- 142.05548 133.0
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