CID 165196

2-amino-4-(trifluoromethylsulfanyl)butanoic acid

Structural Information

Molecular Formula
C5H8F3NO2S
SMILES
C(CSC(F)(F)F)[C@@H](C(=O)O)N
InChI
InChI=1S/C5H8F3NO2S/c6-5(7,8)12-2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)/t3-/m0/s1
InChIKey
YLJLTSVBCXYTQK-VKHMYHEASA-N
Compound name
(2S)-2-amino-4-(trifluoromethylsulfanyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

956
Patents

203.02278 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.03006 143.0
[M+Na]+ 226.01200 146.9
[M+NH4]+ 221.05660 146.9
[M+K]+ 241.98594 143.3
[M-H]- 202.01550 136.5
[M+Na-2H]- 223.99745 142.0
[M]+ 203.02223 141.4
[M]- 203.02333 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe