CID 91882622

3-(trifluoromethyl)cyclopentan-1-one

Structural Information

Molecular Formula
C6H7F3O
SMILES
C1CC(=O)CC1C(F)(F)F
InChI
InChI=1S/C6H7F3O/c7-6(8,9)4-1-2-5(10)3-4/h4H,1-3H2
InChIKey
MZZAJOGAKVUGAB-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.0449 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05218 125.5
[M+Na]+ 175.03412 133.8
[M-H]- 151.03762 125.2
[M+NH4]+ 170.07872 148.4
[M+K]+ 191.00806 132.4
[M+H-H2O]+ 135.04216 118.9
[M+HCOO]- 197.04310 144.5
[M+CH3COO]- 211.05875 173.4
[M+Na-2H]- 173.01957 129.4
[M]+ 152.04435 119.0
[M]- 152.04545 119.0
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.