CID 3056263

1-trichloro-2,2-bis(o-chloro-p-nitroanilino) ethane

Structural Information

Molecular Formula
C14H9Cl5N4O4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(C(Cl)(Cl)Cl)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C14H9Cl5N4O4/c15-9-5-7(22(24)25)1-3-11(9)20-13(14(17,18)19)21-12-4-2-8(23(26)27)6-10(12)16/h1-6,13,20-21H
InChIKey
DTLXHZAVKAVTEY-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-1-N,1-N'-bis(2-chloro-4-nitrophenyl)ethane-1,1-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.90665 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.91393 207.6
[M+Na]+ 494.89587 208.7
[M-H]- 470.89937 206.5
[M+NH4]+ 489.94047 212.9
[M+K]+ 510.86981 198.8
[M+H-H2O]+ 454.90391 211.7
[M+HCOO]- 516.90485 206.0
[M+CH3COO]- 530.92050 221.9
[M+Na-2H]- 492.88132 208.2
[M]+ 471.90610 205.3
[M]- 471.90720 205.3
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.