CID 4187904

882079-72-3

Structural Information

Molecular Formula
C15H14FN3O3
SMILES
C1=CC=C(C(=C1)NC(=O)CNCC2=CC=C(C=C2)F)[N+](=O)[O-]
InChI
InChI=1S/C15H14FN3O3/c16-12-7-5-11(6-8-12)9-17-10-15(20)18-13-3-1-2-4-14(13)19(21)22/h1-8,17H,9-10H2,(H,18,20)
InChIKey
PZGXMBASLWHTCY-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methylamino]-N-(2-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

303.10193 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.109206 164.9
[M+Na]+ 326.091148 169.3
[M-H]- 302.094654 169.9
[M+NH4]+ 321.135753 177.8
[M+K]+ 342.065088 161.5
[M+H-H2O]+ 286.099190 159.8
[M+HCOO]- 348.100131 190.2
[M+CH3COO]- 362.115781 202.4
[M+Na-2H]- 324.076596 171.1
[M]+ 303.10138142 161.3
[M]- 303.10247858 161.3
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

No patent data available for this compound.