CID 38023

N-(2,5-dichloro-4-nitrophenyl)acetamide

Structural Information

Molecular Formula
C8H6Cl2N2O3
SMILES
CC(=O)NC1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C8H6Cl2N2O3/c1-4(13)11-7-2-6(10)8(12(14)15)3-5(7)9/h2-3H,1H3,(H,11,13)
InChIKey
YOKGZPNQGIYATO-UHFFFAOYSA-N
Compound name
N-(2,5-dichloro-4-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

10
Patents

247.97554 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.98282 146.0
[M+Na]+ 270.96476 160.0
[M+NH4]+ 266.00936 153.9
[M+K]+ 286.93870 156.2
[M-H]- 246.96826 149.0
[M+Na-2H]- 268.95021 151.9
[M]+ 247.97499 149.2
[M]- 247.97609 149.2
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