CID 158668

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

Structural Information

Molecular Formula
C14H8ClF4N3O4
SMILES
CN(C1=C(C=C(C=C1)F)Cl)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C14H8ClF4N3O4/c1-20(11-3-2-7(16)4-10(11)15)13-9(14(17,18)19)5-8(21(23)24)6-12(13)22(25)26/h2-6H,1H3
InChIKey
NVAWFPRCXPKLTB-UHFFFAOYSA-N
Compound name
N-(2-chloro-4-fluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

393.01395 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.02123 164.6
[M+Na]+ 416.00317 174.5
[M+NH4]+ 411.04777 168.4
[M+K]+ 431.97711 174.8
[M-H]- 392.00667 164.7
[M+Na-2H]- 413.98862 169.3
[M]+ 393.01340 165.8
[M]- 393.01450 165.8
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