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 172.1
[M+Na]+ 348.92687 176.9
[M-H]- 324.93037 174.0
[M+NH4]+ 343.97147 184.7
[M+K]+ 364.90081 165.8
[M+H-H2O]+ 308.93491 177.0
[M+HCOO]- 370.93585 184.8
[M+CH3COO]- 384.95150 197.5
[M+Na-2H]- 346.91232 179.5
[M]+ 325.93710 171.8
[M]- 325.93820 171.8
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.