CID 113179

N-methyl-2,4-dinitro-n-phenyl-6-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C14H10F3N3O4
SMILES
CN(C1=CC=CC=C1)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C14H10F3N3O4/c1-18(9-5-3-2-4-6-9)13-11(14(15,16)17)7-10(19(21)22)8-12(13)20(23)24/h2-8H,1H3
InChIKey
JYCNXMMTVIAGJC-UHFFFAOYSA-N
Compound name
N-methyl-2,4-dinitro-N-phenyl-6-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

341.06235 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.06963 160.2
[M+Na]+ 364.05157 170.7
[M+NH4]+ 359.09617 164.9
[M+K]+ 380.02551 171.2
[M-H]- 340.05507 162.0
[M+Na-2H]- 362.03702 166.2
[M]+ 341.06180 161.8
[M]- 341.06290 161.8
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