CID 226498

4',5'-dichloro-2'-nitroacetanilide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

247.97554 Da
Monoisotopic Mass

2.4
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

literature stripe

Patent stripe

patents stripe