CID 4228756

N-(2,4-dinitrophenyl)formamide

Structural Information

Molecular Formula
C7H5N3O5
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC=O
InChI
InChI=1S/C7H5N3O5/c11-4-8-6-2-1-5(9(12)13)3-7(6)10(14)15/h1-4H,(H,8,11)
InChIKey
CLROKFGZJKTKOH-UHFFFAOYSA-N
Compound name
N-(2,4-dinitrophenyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

211.02292 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.030196 139.5
[M+Na]+ 234.012138 145.8
[M-H]- 210.015644 143.5
[M+NH4]+ 229.056743 155.5
[M+K]+ 249.986078 136.6
[M+H-H2O]+ 194.020180 142.0
[M+HCOO]- 256.021121 167.2
[M+CH3COO]- 270.036771 177.1
[M+Na-2H]- 231.997586 149.5
[M]+ 211.02237142 136.6
[M]- 211.02346858 136.6
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

patents stripe