CID 155820179

2008278-62-2

Structural Information

Molecular Formula
C9H13ClO
SMILES
C1CC(CC2C1C2)C(=O)CCl
InChI
InChI=1S/C9H13ClO/c10-5-9(11)7-2-1-6-3-8(6)4-7/h6-8H,1-5H2
InChIKey
PEEDVVAACKZQIS-UHFFFAOYSA-N
Compound name
1-(3-bicyclo[4.1.0]heptanyl)-2-chloroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.06549 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07277 134.7
[M+Na]+ 195.05471 143.5
[M-H]- 171.05821 139.4
[M+NH4]+ 190.09931 152.1
[M+K]+ 211.02865 139.6
[M+H-H2O]+ 155.06275 129.9
[M+HCOO]- 217.06369 150.0
[M+CH3COO]- 231.07934 182.8
[M+Na-2H]- 193.04016 139.7
[M]+ 172.06494 136.4
[M]- 172.06604 136.4
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.