CID 60875945

5-fluoro-n1-(2,2,2-trifluoroethyl)benzene-1,3-diamine

Structural Information

Molecular Formula
C8H8F4N2
SMILES
C1=C(C=C(C=C1NCC(F)(F)F)F)N
InChI
InChI=1S/C8H8F4N2/c9-5-1-6(13)3-7(2-5)14-4-8(10,11)12/h1-3,14H,4,13H2
InChIKey
YNSUTJWETGXLIS-UHFFFAOYSA-N
Compound name
5-fluoro-3-N-(2,2,2-trifluoroethyl)benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.06236 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.06964 144.9
[M+Na]+ 231.05158 151.8
[M+NH4]+ 226.09618 149.6
[M+K]+ 247.02552 147.2
[M-H]- 207.05508 141.7
[M+Na-2H]- 229.03703 148.3
[M]+ 208.06181 144.5
[M]- 208.06291 144.5
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.