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]+ 259.018816 145.4
[M+Na]+ 281.000758 154.1
[M-H]- 257.004264 142.2
[M+NH4]+ 276.045363 162.3
[M+K]+ 296.974698 152.4
[M+H-H2O]+ 241.008800 136.0
[M+HCOO]- 303.009741 159.1
[M+CH3COO]- 317.025391 191.0
[M+Na-2H]- 278.986206 148.2
[M]+ 258.01099142 138.0
[M]- 258.01208858 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.