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

1018
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 120.8
[M+Na]+ 141.00776 129.7
[M-H]- 117.01126 124.3
[M+NH4]+ 136.05236 145.9
[M+K]+ 156.98170 127.2
[M+H-H2O]+ 101.01580 117.1
[M+HCOO]- 163.01674 140.1
[M+CH3COO]- 177.03239 166.3
[M+Na-2H]- 138.99321 125.6
[M]+ 118.01799 119.8
[M]- 118.01909 119.8
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