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]+ 145.04148 129.1
[M+Na]+ 167.02342 137.0
[M-H]- 143.02692 132.3
[M+NH4]+ 162.06802 152.9
[M+K]+ 182.99736 134.2
[M+H-H2O]+ 127.03146 124.8
[M+HCOO]- 189.03240 148.3
[M+CH3COO]- 203.04805 171.7
[M+Na-2H]- 165.00887 133.2
[M]+ 144.03365 129.3
[M]- 144.03475 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.