CID 1722509

N,n-dimethyl-3,5-dinitrobenzamide

Structural Information

Molecular Formula
C9H9N3O5
SMILES
CN(C)C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C9H9N3O5/c1-10(2)9(13)6-3-7(11(14)15)5-8(4-6)12(16)17/h3-5H,1-2H3
InChIKey
DEGIKAAXLMXRRP-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3,5-dinitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

239.05421 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06149 148.6
[M+Na]+ 262.04343 154.2
[M-H]- 238.04693 153.8
[M+NH4]+ 257.08803 164.2
[M+K]+ 278.01737 146.4
[M+H-H2O]+ 222.05147 150.9
[M+HCOO]- 284.05241 175.3
[M+CH3COO]- 298.06806 186.4
[M+Na-2H]- 260.02888 155.8
[M]+ 239.05366 146.8
[M]- 239.05476 146.8
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

patents stripe