CID 80473507

1511560-68-1

Structural Information

Molecular Formula
C8H11ClO
SMILES
C1C2C1CC(C2)C(=O)CCl
InChI
InChI=1S/C8H11ClO/c9-4-8(10)7-2-5-1-6(5)3-7/h5-7H,1-4H2
InChIKey
ANUJRFPRHIVQPH-UHFFFAOYSA-N
Compound name
1-(3-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

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.05712 131.7
[M+Na]+ 181.03906 141.8
[M-H]- 157.04256 136.6
[M+NH4]+ 176.08366 151.2
[M+K]+ 197.01300 137.5
[M+H-H2O]+ 141.04710 127.3
[M+HCOO]- 203.04804 148.9
[M+CH3COO]- 217.06369 179.7
[M+Na-2H]- 179.02451 135.7
[M]+ 158.04929 134.9
[M]- 158.05039 134.9
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.