CID 108034

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

Structural Information

Molecular Formula
C14H8F5N3O4
SMILES
CN(C1=C(C=C(C=C1)F)F)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C14H8F5N3O4/c1-20(11-3-2-7(15)4-10(11)16)13-9(14(17,18)19)5-8(21(23)24)6-12(13)22(25)26/h2-6H,1H3
InChIKey
BGEWCEXJSPCYTQ-UHFFFAOYSA-N
Compound name
N-(2,4-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

377.0435 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.05078 164.1
[M+Na]+ 400.03272 172.1
[M+NH4]+ 395.07732 166.7
[M+K]+ 416.00666 172.7
[M-H]- 376.03622 162.8
[M+Na-2H]- 398.01817 167.7
[M]+ 377.04295 164.4
[M]- 377.04405 164.4
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