CID 9588428

4-chloro-3-chlorodifluoromethyl-4,4-difluoro-3-hydroxybutyraldehyde oxime

Structural Information

Molecular Formula
C5H5Cl2F4NO2
SMILES
C(/C=N/O)C(C(F)(F)Cl)(C(F)(F)Cl)O
InChI
InChI=1S/C5H5Cl2F4NO2/c6-4(8,9)3(13,1-2-12-14)5(7,10)11/h2,13-14H,1H2/b12-2+
InChIKey
WDZDGDGQBFFKNG-SWGQDTFXSA-N
Compound name
(4E)-1-chloro-2-[chloro(difluoro)methyl]-1,1-difluoro-4-hydroxyiminobutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.96335 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.97063 141.3
[M+Na]+ 279.95257 150.4
[M-H]- 255.95607 135.4
[M+NH4]+ 274.99717 158.5
[M+K]+ 295.92651 145.5
[M+H-H2O]+ 239.96061 136.2
[M+HCOO]- 301.96155 147.5
[M+CH3COO]- 315.97720 189.6
[M+Na-2H]- 277.93802 147.9
[M]+ 256.96280 137.9
[M]- 256.96390 137.9
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.