CID 154578207

2649030-71-5

Structural Information

Molecular Formula
C10H13ClO
SMILES
C1C2CC(C1C3C2C3)C(=O)CCl
InChI
InChI=1S/C10H13ClO/c11-4-10(12)9-2-5-1-7(9)8-3-6(5)8/h5-9H,1-4H2
InChIKey
UWSYFQWKAXCPOQ-UHFFFAOYSA-N
Compound name
2-chloro-1-(6-tricyclo[3.2.1.02,4]octanyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06549 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07277 141.8
[M+Na]+ 207.05471 152.5
[M-H]- 183.05821 146.0
[M+NH4]+ 202.09931 163.5
[M+K]+ 223.02865 146.7
[M+H-H2O]+ 167.06275 138.3
[M+HCOO]- 229.06369 156.6
[M+CH3COO]- 243.07934 154.9
[M+Na-2H]- 205.04016 144.2
[M]+ 184.06494 145.9
[M]- 184.06604 145.9
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.