CID 158665

N-(3,4-dibromophenyl)-n-methyl-2,4-dinitro-6-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C14H8Br2F3N3O4
SMILES
CN(C1=CC(=C(C=C1)Br)Br)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C14H8Br2F3N3O4/c1-20(7-2-3-10(15)11(16)5-7)13-9(14(17,18)19)4-8(21(23)24)6-12(13)22(25)26/h2-6H,1H3
InChIKey
FCYBQDNAFJSGIK-UHFFFAOYSA-N
Compound name
N-(3,4-dibromophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

496.88336 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.89064 197.2
[M+Na]+ 519.87258 191.7
[M+NH4]+ 514.91718 196.8
[M+K]+ 535.84652 199.2
[M-H]- 495.87608 197.4
[M+Na-2H]- 517.85803 195.7
[M]+ 496.88281 195.4
[M]- 496.88391 195.4
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