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

35
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 121.7
[M+Na]+ 150.05010 129.2
[M-H]- 126.05360 117.9
[M+NH4]+ 145.09470 143.3
[M+K]+ 166.02404 128.7
[M+H-H2O]+ 110.05814 115.1
[M+HCOO]- 172.05908 140.7
[M+CH3COO]- 186.07473 174.0
[M+Na-2H]- 148.03555 126.5
[M]+ 127.06033 115.3
[M]- 127.06143 115.3
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