CID 5483985

4-(methylamino)-2,6-dinitrophenol

Structural Information

Molecular Formula
C7H7N3O5
SMILES
CNC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]
InChI
InChI=1S/C7H7N3O5/c1-8-4-2-5(9(12)13)7(11)6(3-4)10(14)15/h2-3,8,11H,1H3
InChIKey
RHHQGGGEFAQZLY-UHFFFAOYSA-N
Compound name
4-(methylamino)-2,6-dinitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

213.03857 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.045846 139.3
[M+Na]+ 236.027788 145.8
[M-H]- 212.031294 142.3
[M+NH4]+ 231.072393 154.9
[M+K]+ 252.001728 136.3
[M+H-H2O]+ 196.035830 142.2
[M+HCOO]- 258.036771 165.4
[M+CH3COO]- 272.052421 176.5
[M+Na-2H]- 234.013236 148.4
[M]+ 213.03802142 135.7
[M]- 213.03911858 135.7
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

patents stripe