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]+ 173.072766 134.7
[M+Na]+ 195.054708 143.5
[M-H]- 171.058214 139.4
[M+NH4]+ 190.099313 152.1
[M+K]+ 211.028648 139.6
[M+H-H2O]+ 155.062750 129.9
[M+HCOO]- 217.063691 150.0
[M+CH3COO]- 231.079341 182.8
[M+Na-2H]- 193.040156 139.7
[M]+ 172.06494142 136.4
[M]- 172.06603858 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.