CID 45080732

1614-91-1

Structural Information

Molecular Formula
C8H11ClO
SMILES
C1CC(CC=C1)C(=O)CCl
InChI
InChI=1S/C8H11ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-2,7H,3-6H2
InChIKey
QWMUXOSAEIOWMS-UHFFFAOYSA-N
Compound name
2-chloro-1-cyclohex-3-en-1-ylethanone
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 131.2
[M+Na]+ 181.03906 137.8
[M-H]- 157.04256 134.2
[M+NH4]+ 176.08366 152.7
[M+K]+ 197.01300 135.0
[M+H-H2O]+ 141.04710 126.8
[M+HCOO]- 203.04804 148.1
[M+CH3COO]- 217.06369 174.9
[M+Na-2H]- 179.02451 136.4
[M]+ 158.04929 130.0
[M]- 158.05039 130.0
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.