CID 210922

21919-02-8

Structural Information

Molecular Formula
C5H7F6NOS
SMILES
C(CSC(C(F)(F)F)(C(F)(F)F)O)N
InChI
InChI=1S/C5H7F6NOS/c6-4(7,8)3(13,5(9,10)11)14-2-1-12/h13H,1-2,12H2
InChIKey
MGPCOZJFYBZPPQ-UHFFFAOYSA-N
Compound name
2-(2-aminoethylsulfanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.01526 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.02254 141.7
[M+Na]+ 266.00448 149.0
[M-H]- 242.00798 132.4
[M+NH4]+ 261.04908 157.9
[M+K]+ 281.97842 145.7
[M+H-H2O]+ 226.01252 132.3
[M+HCOO]- 288.01346 148.4
[M+CH3COO]- 302.02911 188.5
[M+Na-2H]- 263.98993 143.6
[M]+ 243.01471 132.7
[M]- 243.01581 132.7
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.