CID 3719952

N-(2,4,6-trinitrophenyl)pyridin-3-amine

Structural Information

Molecular Formula
C11H7N5O6
SMILES
C1=CC(=CN=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C11H7N5O6/c17-14(18)8-4-9(15(19)20)11(10(5-8)16(21)22)13-7-2-1-3-12-6-7/h1-6,13H
InChIKey
NNFCFDYRIJDRTR-UHFFFAOYSA-N
Compound name
N-(2,4,6-trinitrophenyl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

305.03964 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.04692 167.8
[M+Na]+ 328.02886 173.4
[M+NH4]+ 323.07346 176.3
[M+K]+ 344.00280 182.5
[M-H]- 304.03236 164.6
[M+Na-2H]- 326.01431 166.4
[M]+ 305.03909 169.7
[M]- 305.04019 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.