CID 9588457

1,1,1-trifluoro-2-hydroxy-5,5-dimethyl-2-(trifluoromethyl)heptan-4-one, oxime

Structural Information

Molecular Formula
C9H13F6NO2
SMILES
CC(C)(C)/C(=N/O)/CC(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C9H13F6NO2/c1-6(2,3)5(16-18)4-7(17,8(10,11)12)9(13,14)15/h17-18H,4H2,1-3H3/b16-5+
InChIKey
IWRDYOHQIDLBRZ-FZSIALSZSA-N
Compound name
(4E)-1,1,1-trifluoro-4-hydroxyimino-5,5-dimethyl-2-(trifluoromethyl)hexan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.08505 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.09233 154.8
[M+Na]+ 304.07427 161.7
[M-H]- 280.07777 146.5
[M+NH4]+ 299.11887 169.7
[M+K]+ 320.04821 160.0
[M+H-H2O]+ 264.08231 146.4
[M+HCOO]- 326.08325 164.2
[M+CH3COO]- 340.09890 198.5
[M+Na-2H]- 302.05972 159.1
[M]+ 281.08450 145.4
[M]- 281.08560 145.4
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.