CID 154577230

2028121-68-6

Structural Information

Molecular Formula
C8H11ClO
SMILES
C1CC2CC2(C1)C(=O)CCl
InChI
InChI=1S/C8H11ClO/c9-5-7(10)8-3-1-2-6(8)4-8/h6H,1-5H2
InChIKey
ZSZMKHRNJSNUAX-UHFFFAOYSA-N
Compound name
1-(1-bicyclo[3.1.0]hexanyl)-2-chloroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.04984 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.05712 132.8
[M+Na]+ 181.03906 142.7
[M-H]- 157.04256 137.7
[M+NH4]+ 176.08366 153.9
[M+K]+ 197.01300 139.2
[M+H-H2O]+ 141.04710 129.2
[M+HCOO]- 203.04804 149.7
[M+CH3COO]- 217.06369 178.3
[M+Na-2H]- 179.02451 138.4
[M]+ 158.04929 135.9
[M]- 158.05039 135.9
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.