CID 2780653

5'-chloro-4'-methoxy-2'-nitroacetanilide

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 148.1
[M+Na]+ 267.01431 156.4
[M-H]- 243.01781 152.2
[M+NH4]+ 262.05891 165.6
[M+K]+ 282.98825 150.0
[M+H-H2O]+ 227.02235 147.8
[M+HCOO]- 289.02329 169.8
[M+CH3COO]- 303.03894 187.8
[M+Na-2H]- 264.99976 153.8
[M]+ 244.02454 150.7
[M]- 244.02564 150.7
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