CID 11436129

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

Structural Information

Molecular Formula
C9H9ClN2O3
SMILES
CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)CCl
InChI
InChI=1S/C9H9ClN2O3/c1-11(9(13)6-10)7-2-4-8(5-3-7)12(14)15/h2-5H,6H2,1H3
InChIKey
JAWLWNKATJAODJ-UHFFFAOYSA-N
Compound name
2-chloro-N-methyl-N-(4-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

70
Patents

228.03017 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.037446 146.1
[M+Na]+ 251.019388 153.0
[M-H]- 227.022894 151.0
[M+NH4]+ 246.063993 164.3
[M+K]+ 266.993328 147.3
[M+H-H2O]+ 211.027430 145.3
[M+HCOO]- 273.028371 168.2
[M+CH3COO]- 287.044021 186.9
[M+Na-2H]- 249.004836 152.1
[M]+ 228.02962142 147.8
[M]- 228.03071858 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe