CID 107343

2-chlorocyclooctanone

Structural Information

Molecular Formula
C8H13ClO
SMILES
C1CCCC(=O)C(CC1)Cl
InChI
InChI=1S/C8H13ClO/c9-7-5-3-1-2-4-6-8(7)10/h7H,1-6H2
InChIKey
ZUHGCXDUBLZMAG-UHFFFAOYSA-N
Compound name
2-chlorocyclooctan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

47
Patents

160.06549 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.072766 145.1
[M+Na]+ 183.054708 149.9
[M-H]- 159.058214 146.7
[M+NH4]+ 178.099313 154.9
[M+K]+ 199.028648 149.7
[M+H-H2O]+ 143.062750 142.2
[M+HCOO]- 205.063691 152.3
[M+CH3COO]- 219.079341 218.8
[M+Na-2H]- 181.040156 145.3
[M]+ 160.06494142 143.7
[M]- 160.06603858 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe