CID 12660433

N-[4-(2-nitroacetyl)phenyl]acetamide

Structural Information

Molecular Formula
C10H10N2O4
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)C[N+](=O)[O-]
InChI
InChI=1S/C10H10N2O4/c1-7(13)11-9-4-2-8(3-5-9)10(14)6-12(15)16/h2-5H,6H2,1H3,(H,11,13)
InChIKey
GCEPJLJWZTVCRS-UHFFFAOYSA-N
Compound name
N-[4-(2-nitroacetyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

222.06406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.071336 145.2
[M+Na]+ 245.053278 150.9
[M-H]- 221.056784 148.9
[M+NH4]+ 240.097883 162.0
[M+K]+ 261.027218 145.8
[M+H-H2O]+ 205.061320 143.3
[M+HCOO]- 267.062261 170.4
[M+CH3COO]- 281.077911 184.4
[M+Na-2H]- 243.038726 151.1
[M]+ 222.06351142 143.9
[M]- 222.06460858 143.9
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