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]+ 209.069636 138.2
[M+Na]+ 231.051578 146.9
[M-H]- 207.055084 136.7
[M+NH4]+ 226.096183 156.6
[M+K]+ 247.025518 143.4
[M+H-H2O]+ 191.059620 129.1
[M+HCOO]- 253.060561 158.6
[M+CH3COO]- 267.076211 190.5
[M+Na-2H]- 229.037026 143.2
[M]+ 208.06181142 130.6
[M]- 208.06290858 130.6
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.