CID 9578483

19072-93-6

Structural Information

Molecular Formula
C8H6Cl2N4O4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N/N=C/C(Cl)Cl
InChI
InChI=1S/C8H6Cl2N4O4/c9-8(10)4-11-12-6-2-1-5(13(15)16)3-7(6)14(17)18/h1-4,8,12H/b11-4+
InChIKey
HVJLXVKKWVFAMA-NYYWCZLTSA-N
Compound name
N-[(E)-2,2-dichloroethylideneamino]-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.97662 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.98390 162.2
[M+Na]+ 314.96584 167.1
[M-H]- 290.96934 165.3
[M+NH4]+ 310.01044 176.1
[M+K]+ 330.93978 156.2
[M+H-H2O]+ 274.97388 166.1
[M+HCOO]- 336.97482 181.0
[M+CH3COO]- 350.99047 193.6
[M+Na-2H]- 312.95129 168.8
[M]+ 291.97607 161.8
[M]- 291.97717 161.8
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.