CID 67813518

2-fluoro-2-(2-fluorophenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H9F2N
SMILES
C1=CC=C(C(=C1)C(CN)F)F
InChI
InChI=1S/C8H9F2N/c9-7-4-2-1-3-6(7)8(10)5-11/h1-4,8H,5,11H2
InChIKey
RZXPMHXTQIOYTQ-UHFFFAOYSA-N
Compound name
2-fluoro-2-(2-fluorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

157.07031 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.077586 129.2
[M+Na]+ 180.059528 136.9
[M-H]- 156.063034 129.9
[M+NH4]+ 175.104133 149.7
[M+K]+ 196.033468 134.5
[M+H-H2O]+ 140.067570 121.8
[M+HCOO]- 202.068511 151.3
[M+CH3COO]- 216.084161 179.9
[M+Na-2H]- 178.044976 134.0
[M]+ 157.06976142 124.4
[M]- 157.07085858 124.4
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

patents stripe