CID 43186919

111102-82-0

Structural Information

Molecular Formula
C10H6F4O2
SMILES
C1=CC=C(C(=C1)C(=O)CC(=O)C(F)(F)F)F
InChI
InChI=1S/C10H6F4O2/c11-7-4-2-1-3-6(7)8(15)5-9(16)10(12,13)14/h1-4H,5H2
InChIKey
ZMJUOMSUMXJFPQ-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-1-(2-fluorophenyl)butane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

234.0304 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.037676 142.6
[M+Na]+ 257.019618 151.2
[M-H]- 233.023124 141.3
[M+NH4]+ 252.064223 160.2
[M+K]+ 272.993558 148.6
[M+H-H2O]+ 217.027660 133.8
[M+HCOO]- 279.028601 159.8
[M+CH3COO]- 293.044251 190.2
[M+Na-2H]- 255.005066 145.5
[M]+ 234.02985142 138.1
[M]- 234.03094858 138.1
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

patents stripe