CID 6510042

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

Structural Information

Molecular Formula
C12H10Cl2F4N4O5
SMILES
C/C(=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/CC(C(F)(F)Cl)(C(F)(F)Cl)O
InChI
InChI=1S/C12H10Cl2F4N4O5/c1-6(5-10(23,11(13,15)16)12(14,17)18)19-20-8-3-2-7(21(24)25)4-9(8)22(26)27/h2-4,20,23H,5H2,1H3/b19-6-
InChIKey
HFWJGRXAYNPUOJ-SWNXQHNESA-N
Compound name
(4Z)-1-chloro-2-[chloro(difluoro)methyl]-4-[(2,4-dinitrophenyl)hydrazinylidene]-1,1-difluoropentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.99643 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.00371 201.0
[M+Na]+ 458.98565 211.9
[M-H]- 434.98915 212.1
[M+NH4]+ 454.03025 209.8
[M+K]+ 474.95959 209.1
[M+H-H2O]+ 418.99369 181.7
[M+HCOO]- 480.99463 218.7
[M+CH3COO]- 495.01028 215.1
[M+Na-2H]- 456.97110 189.4
[M]+ 435.99588 195.1
[M]- 435.99698 195.1
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.