CID 31206

3'-nitroacetanilide

Structural Information

Molecular Formula
C8H8N2O3
SMILES
CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O3/c1-6(11)9-7-3-2-4-8(5-7)10(12)13/h2-5H,1H3,(H,9,11)
InChIKey
KFTYNYHJHKCRKU-UHFFFAOYSA-N
Compound name
N-(3-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

178
Patents

180.0535 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06078 134.7
[M+Na]+ 203.04272 146.8
[M+NH4]+ 198.08732 142.4
[M+K]+ 219.01666 144.2
[M-H]- 179.04622 137.9
[M+Na-2H]- 201.02817 141.0
[M]+ 180.05295 137.0
[M]- 180.05405 137.0
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