CID 291355

N-(4-formyl-2-nitrophenyl)acetamide

Structural Information

Molecular Formula
C9H8N2O4
SMILES
CC(=O)NC1=C(C=C(C=C1)C=O)[N+](=O)[O-]
InChI
InChI=1S/C9H8N2O4/c1-6(13)10-8-3-2-7(5-12)4-9(8)11(14)15/h2-5H,1H3,(H,10,13)
InChIKey
CNCOWQRMRJIFOH-UHFFFAOYSA-N
Compound name
N-(4-formyl-2-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

208.0484 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05568 140.1
[M+Na]+ 231.03762 147.4
[M-H]- 207.04112 144.3
[M+NH4]+ 226.08222 157.9
[M+K]+ 247.01156 142.0
[M+H-H2O]+ 191.04566 138.5
[M+HCOO]- 253.04660 166.6
[M+CH3COO]- 267.06225 181.8
[M+Na-2H]- 229.02307 147.0
[M]+ 208.04785 139.5
[M]- 208.04895 139.5
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