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]+ 208.03284 132.1
[M+Na]+ 230.01478 142.6
[M-H]- 206.01828 132.4
[M+NH4]+ 225.05938 150.0
[M+K]+ 245.98872 135.5
[M+H-H2O]+ 190.02282 128.7
[M+HCOO]- 252.02376 156.3
[M+CH3COO]- 266.03941 185.8
[M+Na-2H]- 228.00023 136.3
[M]+ 207.02501 124.8
[M]- 207.02611 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.