CID 5486955

95713-52-3

Structural Information

Molecular Formula
C9H9FN4O5
SMILES
C[C@@H](C(=O)N)NC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F
InChI
InChI=1S/C9H9FN4O5/c1-4(9(11)15)12-6-2-5(10)7(13(16)17)3-8(6)14(18)19/h2-4,12H,1H3,(H2,11,15)/t4-/m0/s1
InChIKey
NEPLBHLFDJOJGP-BYPYZUCNSA-N
Compound name
(2S)-2-(5-fluoro-2,4-dinitroanilino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

39
References

869
Patents

272.0557 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06298 165.6
[M+Na]+ 295.04492 171.3
[M+NH4]+ 290.08952 173.9
[M+K]+ 311.01886 180.1
[M-H]- 271.04842 161.0
[M+Na-2H]- 293.03037 163.1
[M]+ 272.05515 167.1
[M]- 272.05625 167.1
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