CID 4063914

3-chloro-n-(2-fluoro-5-nitrophenyl)propanamide

Structural Information

Molecular Formula
C9H8ClFN2O3
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CCCl)F
InChI
InChI=1S/C9H8ClFN2O3/c10-4-3-9(14)12-8-5-6(13(15)16)1-2-7(8)11/h1-2,5H,3-4H2,(H,12,14)
InChIKey
RFQMTRNWIAOWIU-UHFFFAOYSA-N
Compound name
3-chloro-N-(2-fluoro-5-nitrophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.02075 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.02803 147.7
[M+Na]+ 269.00997 155.3
[M-H]- 245.01347 150.0
[M+NH4]+ 264.05457 164.8
[M+K]+ 284.98391 147.8
[M+H-H2O]+ 229.01801 146.3
[M+HCOO]- 291.01895 168.3
[M+CH3COO]- 305.03460 187.2
[M+Na-2H]- 266.99542 153.3
[M]+ 246.02020 147.5
[M]- 246.02130 147.5
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.