CID 86312783

101055-00-9

Structural Information

Molecular Formula
C4H8F3N
SMILES
C[C@@H](CC(F)(F)F)N
InChI
InChI=1S/C4H8F3N/c1-3(8)2-4(5,6)7/h3H,2,8H2,1H3/t3-/m0/s1
InChIKey
HKEQNJJYWZWKMC-VKHMYHEASA-N
Compound name
(2S)-4,4,4-trifluorobutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

127.06088 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.06816 127.8
[M+Na]+ 150.05010 134.4
[M+NH4]+ 145.09470 133.5
[M+K]+ 166.02404 130.7
[M-H]- 126.05360 123.2
[M+Na-2H]- 148.03555 129.7
[M]+ 127.06033 127.0
[M]- 127.06143 127.0
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