CID 28973207

2241107-58-2

Structural Information

Molecular Formula
C8H8F3N
SMILES
C1=CC(=CC=C1[C@H](C(F)F)N)F
InChI
InChI=1S/C8H8F3N/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,7-8H,12H2/t7-/m1/s1
InChIKey
LJBFIMGPCYAABD-SSDOTTSWSA-N
Compound name
(1R)-2,2-difluoro-1-(4-fluorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

175.06088 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.06816 132.3
[M+Na]+ 198.05010 139.8
[M-H]- 174.05360 131.7
[M+NH4]+ 193.09470 151.9
[M+K]+ 214.02404 137.4
[M+H-H2O]+ 158.05814 124.0
[M+HCOO]- 220.05908 152.4
[M+CH3COO]- 234.07473 183.6
[M+Na-2H]- 196.03555 135.3
[M]+ 175.06033 125.6
[M]- 175.06143 125.6
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

patents stripe