CID 5468110

Butyrophenone, 3'-chloro-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-, oxime

Structural Information

Molecular Formula
C11H8ClF6NO2
SMILES
C1=CC(=CC(=C1)Cl)/C(=N\O)/CC(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C11H8ClF6NO2/c12-7-3-1-2-6(4-7)8(19-21)5-9(20,10(13,14)15)11(16,17)18/h1-4,20-21H,5H2/b19-8-
InChIKey
GVPYPKOPSXHWPD-UWVJOHFNSA-N
Compound name
(4Z)-4-(3-chlorophenyl)-1,1,1-trifluoro-4-hydroxyimino-2-(trifluoromethyl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

335.01477 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.02205 162.1
[M+Na]+ 358.00399 170.8
[M-H]- 334.00749 157.1
[M+NH4]+ 353.04859 175.7
[M+K]+ 373.97793 165.3
[M+H-H2O]+ 318.01203 152.8
[M+HCOO]- 380.01297 169.7
[M+CH3COO]- 394.02862 204.6
[M+Na-2H]- 355.98944 166.1
[M]+ 335.01422 155.0
[M]- 335.01532 155.0
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

patents stripe