CID 125721

132055-99-3

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-/m1/s1
InChIKey
NEPLBHLFDJOJGP-SCSAIBSYSA-N
Compound name
(2R)-2-(5-fluoro-2,4-dinitroanilino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

39
References

881
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 151.3
[M+Na]+ 295.04492 156.2
[M-H]- 271.04842 153.3
[M+NH4]+ 290.08952 164.2
[M+K]+ 311.01886 146.8
[M+H-H2O]+ 255.05296 152.4
[M+HCOO]- 317.05390 175.7
[M+CH3COO]- 331.06955 192.0
[M+Na-2H]- 293.03037 156.7
[M]+ 272.05515 145.2
[M]- 272.05625 145.2
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