CID 2780653

N-(5-chloro-4-methoxy-2-nitrophenyl)acetamide

Structural Information

Molecular Formula
C9H9ClN2O4
SMILES
CC(=O)NC1=CC(=C(C=C1[N+](=O)[O-])OC)Cl
InChI
InChI=1S/C9H9ClN2O4/c1-5(13)11-7-3-6(10)9(16-2)4-8(7)12(14)15/h3-4H,1-2H3,(H,11,13)
InChIKey
UDVMKRHMXJOWQA-UHFFFAOYSA-N
Compound name
N-(5-chloro-4-methoxy-2-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

244.02509 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03237 147.2
[M+Na]+ 267.01431 160.1
[M+NH4]+ 262.05891 154.4
[M+K]+ 282.98825 157.4
[M-H]- 243.01781 149.9
[M+Na-2H]- 264.99976 152.5
[M]+ 244.02454 149.8
[M]- 244.02564 149.8
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