CID 154814224

4-(trifluoromethyl)cyclopentane-1,2-dione

Structural Information

Molecular Formula
C6H5F3O2
SMILES
C1C(CC(=O)C1=O)C(F)(F)F
InChI
InChI=1S/C6H5F3O2/c7-6(8,9)3-1-4(10)5(11)2-3/h3H,1-2H2
InChIKey
XZCHWGFUNNWCID-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)cyclopentane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.02417 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03145 126.2
[M+Na]+ 189.01339 135.7
[M-H]- 165.01689 126.4
[M+NH4]+ 184.05799 148.8
[M+K]+ 204.98733 134.2
[M+H-H2O]+ 149.02143 119.9
[M+HCOO]- 211.02237 145.6
[M+CH3COO]- 225.03802 175.5
[M+Na-2H]- 186.99884 129.7
[M]+ 166.02362 120.9
[M]- 166.02472 120.9
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.