CID 9588161

Trichloroacetaldehyde 2,4-dinitrophenylhydrazone

Structural Information

Molecular Formula
C8H5Cl3N4O4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N/N=C/C(Cl)(Cl)Cl
InChI
InChI=1S/C8H5Cl3N4O4/c9-8(10,11)4-12-13-6-2-1-5(14(16)17)3-7(6)15(18)19/h1-4,13H/b12-4+
InChIKey
MKYVCIRGSYNBIG-UUILKARUSA-N
Compound name
2,4-dinitro-N-[(E)-2,2,2-trichloroethylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.93765 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.94493 174.7
[M+Na]+ 348.92687 179.8
[M+NH4]+ 343.97147 182.3
[M+K]+ 364.90081 187.5
[M-H]- 324.93037 170.6
[M+Na-2H]- 346.91232 172.1
[M]+ 325.93710 176.1
[M]- 325.93820 176.1
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.