CID 81113999

2-(3-fluoropropyl)cyclopentan-1-one

Structural Information

Molecular Formula
C8H13FO
SMILES
C1CC(C(=O)C1)CCCF
InChI
InChI=1S/C8H13FO/c9-6-2-4-7-3-1-5-8(7)10/h7H,1-6H2
InChIKey
BKSKABCGVCWLHM-UHFFFAOYSA-N
Compound name
2-(3-fluoropropyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.09505 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.10233 129.8
[M+Na]+ 167.08427 136.7
[M-H]- 143.08777 131.6
[M+NH4]+ 162.12887 153.1
[M+K]+ 183.05821 135.3
[M+H-H2O]+ 127.09231 124.0
[M+HCOO]- 189.09325 151.8
[M+CH3COO]- 203.10890 174.2
[M+Na-2H]- 165.06972 133.0
[M]+ 144.09450 127.1
[M]- 144.09560 127.1
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.