CID 210920

1-(2-aminoethylthio)-2,2,2-trifluoroethanol hydrochloride

Structural Information

Molecular Formula
C4H8F3NOS
SMILES
C(CSC(C(F)(F)F)O)N
InChI
InChI=1S/C4H8F3NOS/c5-4(6,7)3(9)10-2-1-8/h3,9H,1-2,8H2
InChIKey
HTBMXSULBSZBFD-UHFFFAOYSA-N
Compound name
1-(2-aminoethylsulfanyl)-2,2,2-trifluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.02786 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.03514 130.2
[M+Na]+ 198.01708 136.9
[M-H]- 174.02058 124.7
[M+NH4]+ 193.06168 149.4
[M+K]+ 213.99102 134.7
[M+H-H2O]+ 158.02512 122.9
[M+HCOO]- 220.02606 142.4
[M+CH3COO]- 234.04171 177.2
[M+Na-2H]- 196.00253 131.3
[M]+ 175.02731 125.5
[M]- 175.02841 125.5
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

No patent data available for this compound.