CID 50936924

N,n-dimethyl-3,5-dinitroaniline

Structural Information

Molecular Formula
C8H9N3O4
SMILES
CN(C)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C8H9N3O4/c1-9(2)6-3-7(10(12)13)5-8(4-6)11(14)15/h3-5H,1-2H3
InChIKey
OXIFFLMOPHMUEE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3,5-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.05931 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.066586 142.5
[M+Na]+ 234.048528 148.6
[M-H]- 210.052034 147.8
[M+NH4]+ 229.093133 159.4
[M+K]+ 250.022468 140.6
[M+H-H2O]+ 194.056570 145.0
[M+HCOO]- 256.057511 170.1
[M+CH3COO]- 270.073161 182.7
[M+Na-2H]- 232.033976 150.9
[M]+ 211.05876142 140.5
[M]- 211.05985858 140.5
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.