CID 3760431

4-nitro-1-n-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine

Structural Information

Molecular Formula
C13H10F3N3O2
SMILES
C1=CC(=CC(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])N)C(F)(F)F
InChI
InChI=1S/C13H10F3N3O2/c14-13(15,16)8-2-1-3-9(6-8)18-12-5-4-10(19(20)21)7-11(12)17/h1-7,18H,17H2
InChIKey
YDUAABWRDNQOKM-UHFFFAOYSA-N
Compound name
4-nitro-1-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0725 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.07978 153.8
[M+Na]+ 320.06172 163.6
[M+NH4]+ 315.10632 159.1
[M+K]+ 336.03566 161.3
[M-H]- 296.06522 155.0
[M+Na-2H]- 318.04717 160.3
[M]+ 297.07195 155.1
[M]- 297.07305 155.1
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

No patent data available for this compound.