CID 3599413

2-chloro-n-(4-nitrophenyl)propanamide

Structural Information

Molecular Formula
C9H9ClN2O3
SMILES
CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C9H9ClN2O3/c1-6(10)9(13)11-7-2-4-8(5-3-7)12(14)15/h2-6H,1H3,(H,11,13)
InChIKey
QKSYEZBOHBDLAW-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-nitrophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

228.03017 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.03745 145.8
[M+Na]+ 251.01939 152.3
[M-H]- 227.02289 149.3
[M+NH4]+ 246.06399 163.4
[M+K]+ 266.99333 145.7
[M+H-H2O]+ 211.02743 145.4
[M+HCOO]- 273.02837 166.5
[M+CH3COO]- 287.04402 184.1
[M+Na-2H]- 249.00484 151.4
[M]+ 228.02962 145.7
[M]- 228.03072 145.7
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