CID 24691578

2-[(2,2,2-trifluoroethyl)sulfanyl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C4H8F3NS
SMILES
C(CSCC(F)(F)F)N
InChI
InChI=1S/C4H8F3NS/c5-4(6,7)3-9-2-1-8/h1-3,8H2
InChIKey
FEIDZWODBDNLIX-UHFFFAOYSA-N
Compound name
2-(2,2,2-trifluoroethylsulfanyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

159.03296 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.04024 126.3
[M+Na]+ 182.02218 133.9
[M-H]- 158.02568 122.4
[M+NH4]+ 177.06678 147.1
[M+K]+ 197.99612 131.8
[M+H-H2O]+ 142.03022 119.0
[M+HCOO]- 204.03116 140.8
[M+CH3COO]- 218.04681 177.1
[M+Na-2H]- 180.00763 128.9
[M]+ 159.03241 122.8
[M]- 159.03351 122.8
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