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

36
Patents

127.06088 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.068156 121.7
[M+Na]+ 150.050098 129.2
[M-H]- 126.053604 117.9
[M+NH4]+ 145.094703 143.3
[M+K]+ 166.024038 128.7
[M+H-H2O]+ 110.058140 115.1
[M+HCOO]- 172.059081 140.7
[M+CH3COO]- 186.074731 174.0
[M+Na-2H]- 148.035546 126.5
[M]+ 127.06033142 115.3
[M]- 127.06142858 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