CID 6376406

5-chloro-4-(chlorodifluoromethyl)-4-hydroxy-5,5-difluoro-2-pentanone oxime

Structural Information

Molecular Formula
C6H7Cl2F4NO2
SMILES
C/C(=N/O)/CC(C(F)(F)Cl)(C(F)(F)Cl)O
InChI
InChI=1S/C6H7Cl2F4NO2/c1-3(13-15)2-4(14,5(7,9)10)6(8,11)12/h14-15H,2H2,1H3/b13-3-
InChIKey
PUSDKNAQCQFZBD-DXNYSGJVSA-N
Compound name
(4Z)-1-chloro-2-[chloro(difluoro)methyl]-1,1-difluoro-4-hydroxyiminopentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.979 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.98628 144.7
[M+Na]+ 293.96822 153.2
[M-H]- 269.97172 138.7
[M+NH4]+ 289.01282 161.3
[M+K]+ 309.94216 148.5
[M+H-H2O]+ 253.97626 139.6
[M+HCOO]- 315.97720 149.7
[M+CH3COO]- 329.99285 193.4
[M+Na-2H]- 291.95367 149.7
[M]+ 270.97845 141.1
[M]- 270.97955 141.1
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.