CID 3623219

2,4,5-trifluoro-6-nitrobenzene-1,3-diamine

Structural Information

Molecular Formula
C6H4F3N3O2
SMILES
C1(=C(C(=C(C(=C1F)N)F)F)[N+](=O)[O-])N
InChI
InChI=1S/C6H4F3N3O2/c7-1-2(8)6(12(13)14)5(11)3(9)4(1)10/h10-11H2
InChIKey
HGYLISKVTLKRJJ-UHFFFAOYSA-N
Compound name
2,4,5-trifluoro-6-nitrobenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.02556 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.032836 132.1
[M+Na]+ 230.014778 142.6
[M-H]- 206.018284 132.4
[M+NH4]+ 225.059383 150.0
[M+K]+ 245.988718 135.5
[M+H-H2O]+ 190.022820 128.7
[M+HCOO]- 252.023761 156.3
[M+CH3COO]- 266.039411 185.8
[M+Na-2H]- 228.000226 136.3
[M]+ 207.02501142 124.8
[M]- 207.02610858 124.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.