CID 4345469

2'-acetyl-4'-nitroacetanilide

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

23
Patents

222.06406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.071336 144.5
[M+Na]+ 245.053278 151.1
[M-H]- 221.056784 148.6
[M+NH4]+ 240.097883 161.6
[M+K]+ 261.027218 146.1
[M+H-H2O]+ 205.061320 142.9
[M+HCOO]- 267.062261 169.7
[M+CH3COO]- 281.077911 185.6
[M+Na-2H]- 243.038726 149.8
[M]+ 222.06351142 143.6
[M]- 222.06460858 143.6
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