CID 6510043

4-chlorodifluoromethyl-5,5-dichloro-5-fluoro-4-hydroxy-2-pentanone oxime

Structural Information

Molecular Formula
C6H7Cl3F3NO2
SMILES
C/C(=N/O)/CC(C(F)(F)Cl)(C(F)(Cl)Cl)O
InChI
InChI=1S/C6H7Cl3F3NO2/c1-3(13-15)2-4(14,5(7,8)10)6(9,11)12/h14-15H,2H2,1H3/b13-3-
InChIKey
SCARABYIZVHBPP-DXNYSGJVSA-N
Compound name
(4Z)-1,1-dichloro-2-[chloro(difluoro)methyl]-1-fluoro-4-hydroxyiminopentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.94943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.95671 148.1
[M+Na]+ 309.93865 156.4
[M-H]- 285.94215 142.7
[M+NH4]+ 304.98325 164.1
[M+K]+ 325.91259 151.1
[M+H-H2O]+ 269.94669 144.6
[M+HCOO]- 331.94763 149.1
[M+CH3COO]- 345.96328 195.8
[M+Na-2H]- 307.92410 152.6
[M]+ 286.94888 145.9
[M]- 286.94998 145.9
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.