CID 5464796

2-pentanone, 4-hydroxy-1-phenyl-5,5,5-trifluoro-4-(trifluoromethyl)-, oxime

Structural Information

Molecular Formula
C12H11F6NO2
SMILES
C1=CC=C(C=C1)C/C(=N/O)/CC(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C12H11F6NO2/c13-11(14,15)10(20,12(16,17)18)7-9(19-21)6-8-4-2-1-3-5-8/h1-5,20-21H,6-7H2/b19-9-
InChIKey
CSKPREQAWKWFCQ-OCKHKDLRSA-N
Compound name
(4Z)-1,1,1-trifluoro-4-hydroxyimino-5-phenyl-2-(trifluoromethyl)pentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.0694 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07668 163.2
[M+Na]+ 338.05862 169.8
[M-H]- 314.06212 157.5
[M+NH4]+ 333.10322 176.3
[M+K]+ 354.03256 166.0
[M+H-H2O]+ 298.06666 152.7
[M+HCOO]- 360.06760 174.7
[M+CH3COO]- 374.08325 202.8
[M+Na-2H]- 336.04407 167.4
[M]+ 315.06885 153.6
[M]- 315.06995 153.6
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.