CID 6090840

38293-71-9

Structural Information

Molecular Formula
C14H11ClN4O4
SMILES
C1=CC=C(C=C1)/C(=N\NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/CCl
InChI
InChI=1S/C14H11ClN4O4/c15-9-13(10-4-2-1-3-5-10)17-16-12-7-6-11(18(20)21)8-14(12)19(22)23/h1-8,16H,9H2/b17-13-
InChIKey
HNLCJXKVYWWDTN-LGMDPLHJSA-N
Compound name
N-[(E)-(2-chloro-1-phenylethylidene)amino]-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.04688 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.05416 174.6
[M+Na]+ 357.03610 188.3
[M+NH4]+ 352.08070 181.6
[M+K]+ 373.01004 185.9
[M-H]- 333.03960 181.9
[M+Na-2H]- 355.02155 182.3
[M]+ 334.04633 178.6
[M]- 334.04743 178.6
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.