CID 9578697

1-(3-(trifluoromethyl)phenyl)-2-propanone o-((2,5-dimethyl-3-furanyl)carbonyl)oxime

Structural Information

Molecular Formula
C17H16F3NO3
SMILES
CC1=CC(=C(O1)C)C(=O)O/N=C(\C)/CC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C17H16F3NO3/c1-10(7-13-5-4-6-14(9-13)17(18,19)20)21-24-16(22)15-8-11(2)23-12(15)3/h4-6,8-9H,7H2,1-3H3/b21-10+
InChIKey
FQJSNVKNXFIPKU-UFFVCSGVSA-N
Compound name
[(E)-1-[3-(trifluoromethyl)phenyl]propan-2-ylideneamino] 2,5-dimethylfuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.10822 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11550 176.1
[M+Na]+ 362.09744 184.3
[M-H]- 338.10094 181.5
[M+NH4]+ 357.14204 190.7
[M+K]+ 378.07138 182.4
[M+H-H2O]+ 322.10548 166.6
[M+HCOO]- 384.10642 196.1
[M+CH3COO]- 398.12207 214.6
[M+Na-2H]- 360.08289 176.5
[M]+ 339.10767 177.5
[M]- 339.10877 177.5
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.