CID 121604334

943926-18-9

Structural Information

Molecular Formula
C9H14F3NO4S
SMILES
CC(C)(C)OC(=O)N[C@@H](CSC(F)(F)F)C(=O)O
InChI
InChI=1S/C9H14F3NO4S/c1-8(2,3)17-7(16)13-5(6(14)15)4-18-9(10,11)12/h5H,4H2,1-3H3,(H,13,16)(H,14,15)/t5-/m0/s1
InChIKey
ADZJWUUZSHOVLW-YFKPBYRVSA-N
Compound name
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethylsulfanyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

289.05957 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.06685 165.8
[M+Na]+ 312.04879 167.8
[M+NH4]+ 307.09339 167.6
[M+K]+ 328.02273 165.7
[M-H]- 288.05229 157.3
[M+Na-2H]- 310.03424 163.0
[M]+ 289.05902 163.3
[M]- 289.06012 163.3
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