CID 171607

N-(2,4-difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C13H6F5N3O4
SMILES
C1=CC(=C(C=C1F)F)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C13H6F5N3O4/c14-6-1-2-10(9(15)3-6)19-12-8(13(16,17)18)4-7(20(22)23)5-11(12)21(24)25/h1-5,19H
InChIKey
KANFZLLPWYJEMP-UHFFFAOYSA-N
Compound name
N-(2,4-difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

363.02783 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.03511 160.0
[M+Na]+ 386.01705 168.0
[M+NH4]+ 381.06165 162.6
[M+K]+ 401.99099 168.5
[M-H]- 362.02055 158.5
[M+Na-2H]- 384.00250 163.6
[M]+ 363.02728 160.2
[M]- 363.02838 160.2
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