CID 37145

35444-09-8

Structural Information

Molecular Formula
C9H4F6O2
SMILES
C1=COC(=C1)C(=O)C=C(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C9H4F6O2/c10-8(11,12)7(9(13,14)15)4-5(16)6-2-1-3-17-6/h1-4H
InChIKey
DTQHSVUPGPFERQ-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-1-(furan-2-yl)-3-(trifluoromethyl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.01154 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.01882 145.4
[M+Na]+ 281.00076 154.1
[M-H]- 257.00426 142.2
[M+NH4]+ 276.04536 162.3
[M+K]+ 296.97470 152.4
[M+H-H2O]+ 241.00880 136.0
[M+HCOO]- 303.00974 159.1
[M+CH3COO]- 317.02539 191.0
[M+Na-2H]- 278.98621 148.2
[M]+ 258.01099 138.0
[M]- 258.01209 138.0
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.