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]+ 212.03020 139.5
[M+Na]+ 234.01214 145.8
[M-H]- 210.01564 143.5
[M+NH4]+ 229.05674 155.5
[M+K]+ 249.98608 136.6
[M+H-H2O]+ 194.02018 142.0
[M+HCOO]- 256.02112 167.2
[M+CH3COO]- 270.03677 177.1
[M+Na-2H]- 231.99759 149.5
[M]+ 211.02237 136.6
[M]- 211.02347 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