CID 5018359

2-chloro-n-(4-fluoro-3-nitrophenyl)propanamide

Structural Information

Molecular Formula
C9H8ClFN2O3
SMILES
CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])Cl
InChI
InChI=1S/C9H8ClFN2O3/c1-5(10)9(14)12-6-2-3-7(11)8(4-6)13(15)16/h2-5H,1H3,(H,12,14)
InChIKey
ZIXQXLMDSBTRAE-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-fluoro-3-nitrophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.02075 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.02803 147.1
[M+Na]+ 269.00997 154.5
[M-H]- 245.01347 149.5
[M+NH4]+ 264.05457 164.1
[M+K]+ 284.98391 147.5
[M+H-H2O]+ 229.01801 145.9
[M+HCOO]- 291.01895 166.7
[M+CH3COO]- 305.03460 188.0
[M+Na-2H]- 266.99542 151.5
[M]+ 246.02020 146.3
[M]- 246.02130 146.3
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

No patent data available for this compound.