CID 177800434

2-chloro-1-(cyclopent-3-en-1-yl)ethan-1-one

Structural Information

Molecular Formula
C7H9ClO
SMILES
C1C=CCC1C(=O)CCl
InChI
InChI=1S/C7H9ClO/c8-5-7(9)6-3-1-2-4-6/h1-2,6H,3-5H2
InChIKey
HERMFCCVQFAOQJ-UHFFFAOYSA-N
Compound name
2-chloro-1-cyclopent-3-en-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.0342 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.041476 129.1
[M+Na]+ 167.023418 137.0
[M-H]- 143.026924 132.3
[M+NH4]+ 162.068023 152.9
[M+K]+ 182.997358 134.2
[M+H-H2O]+ 127.031460 124.8
[M+HCOO]- 189.032401 148.3
[M+CH3COO]- 203.048051 171.7
[M+Na-2H]- 165.008866 133.2
[M]+ 144.03365142 129.3
[M]- 144.03474858 129.3
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.