CID 158445

2,6-dibromo-n-(2,4-dinitro-6-(trifluoromethyl)phenyl)-4-fluoro-n-methylbenzenamine

Structural Information

Molecular Formula
C14H7Br2F4N3O4
SMILES
CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F)C2=C(C=C(C=C2Br)F)Br
InChI
InChI=1S/C14H7Br2F4N3O4/c1-21(13-9(15)2-6(17)3-10(13)16)12-8(14(18,19)20)4-7(22(24)25)5-11(12)23(26)27/h2-5H,1H3
InChIKey
DWKAOWMMVKDGNY-UHFFFAOYSA-N
Compound name
N-(2,6-dibromo-4-fluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

514.87396 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.88124 199.0
[M+Na]+ 537.86318 193.7
[M+NH4]+ 532.90778 198.2
[M+K]+ 553.83712 200.4
[M-H]- 513.86668 198.3
[M+Na-2H]- 535.84863 196.9
[M]+ 514.87341 197.0
[M]- 514.87451 197.0
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