CID 5067262

5942-05-2

Structural Information

Molecular Formula
C8H6Cl2N2O3
SMILES
CC(=O)NC1=CC(=C(C(=C1)Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C8H6Cl2N2O3/c1-4(13)11-5-2-6(9)8(12(14)15)7(10)3-5/h2-3H,1H3,(H,11,13)
InChIKey
NLMSWSNEACDRBF-UHFFFAOYSA-N
Compound name
N-(3,5-dichloro-4-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.97554 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.982816 147.9
[M+Na]+ 270.964758 156.8
[M-H]- 246.968264 151.2
[M+NH4]+ 266.009363 165.6
[M+K]+ 286.938698 148.8
[M+H-H2O]+ 230.972800 149.0
[M+HCOO]- 292.973741 164.6
[M+CH3COO]- 306.989391 187.4
[M+Na-2H]- 268.950206 152.9
[M]+ 247.97499142 149.9
[M]- 247.97608858 149.9
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

No patent data available for this compound.