CID 121553179

3-(1-amino-2,2,2-trifluoroethyl)-2-fluoroaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.06236 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.069636 139.0
[M+Na]+ 231.051578 147.4
[M-H]- 207.055084 137.0
[M+NH4]+ 226.096183 157.0
[M+K]+ 247.025518 144.1
[M+H-H2O]+ 191.059620 130.0
[M+HCOO]- 253.060561 157.7
[M+CH3COO]- 267.076211 190.8
[M+Na-2H]- 229.037026 141.6
[M]+ 208.06181142 129.7
[M]- 208.06290858 129.7
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.