CID 4345469

41019-20-9

Structural Information

Molecular Formula
C10H10N2O4
SMILES
CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C
InChI
InChI=1S/C10H10N2O4/c1-6(13)9-5-8(12(15)16)3-4-10(9)11-7(2)14/h3-5H,1-2H3,(H,11,14)
InChIKey
XQUPARUIHRXRMW-UHFFFAOYSA-N
Compound name
N-(2-acetyl-4-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

222.06406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07134 145.5
[M+Na]+ 245.05328 156.7
[M+NH4]+ 240.09788 151.8
[M+K]+ 261.02722 155.2
[M-H]- 221.05678 147.6
[M+Na-2H]- 243.03873 150.1
[M]+ 222.06351 147.2
[M]- 222.06461 147.2
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