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]+ 304.10921 164.9
[M+Na]+ 326.09115 169.3
[M-H]- 302.09465 169.9
[M+NH4]+ 321.13575 177.8
[M+K]+ 342.06509 161.5
[M+H-H2O]+ 286.09919 159.8
[M+HCOO]- 348.10013 190.2
[M+CH3COO]- 362.11578 202.4
[M+Na-2H]- 324.07660 171.1
[M]+ 303.10138 161.3
[M]- 303.10248 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.