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]+ 248.98282 147.9
[M+Na]+ 270.96476 156.8
[M-H]- 246.96826 151.2
[M+NH4]+ 266.00936 165.6
[M+K]+ 286.93870 148.8
[M+H-H2O]+ 230.97280 149.0
[M+HCOO]- 292.97374 164.6
[M+CH3COO]- 306.98939 187.4
[M+Na-2H]- 268.95021 152.9
[M]+ 247.97499 149.9
[M]- 247.97609 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.