CID 2060603

2-chloro-n-(4-chloro-3-nitrophenyl)acetamide

Structural Information

Molecular Formula
C8H6Cl2N2O3
SMILES
C1=CC(=C(C=C1NC(=O)CCl)[N+](=O)[O-])Cl
InChI
InChI=1S/C8H6Cl2N2O3/c9-4-8(13)11-5-1-2-6(10)7(3-5)12(14)15/h1-3H,4H2,(H,11,13)
InChIKey
ZIPYLYIONLWUPU-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-chloro-3-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

247.97554 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.98282 148.3
[M+Na]+ 270.96476 156.3
[M-H]- 246.96826 151.3
[M+NH4]+ 266.00936 165.7
[M+K]+ 286.93870 148.3
[M+H-H2O]+ 230.97280 149.1
[M+HCOO]- 292.97374 165.0
[M+CH3COO]- 306.98939 186.2
[M+Na-2H]- 268.95021 153.9
[M]+ 247.97499 150.0
[M]- 247.97609 150.0
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