CID 12751

2-chlorocyclopentanone

Structural Information

Molecular Formula
C5H7ClO
SMILES
C1CC(C(=O)C1)Cl
InChI
InChI=1S/C5H7ClO/c6-4-2-1-3-5(4)7/h4H,1-3H2
InChIKey
AXDZFGRFZOQVBV-UHFFFAOYSA-N
Compound name
2-chlorocyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

966
Patents

118.01854 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.02582 119.1
[M+Na]+ 141.00776 130.8
[M+NH4]+ 136.05236 129.0
[M+K]+ 156.98170 126.1
[M-H]- 117.01126 120.7
[M+Na-2H]- 138.99321 124.6
[M]+ 118.01799 121.4
[M]- 118.01909 121.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe