CID 16228804

609354-98-5

Structural Information

Molecular Formula
C3H6F3NS
SMILES
C(CSC(F)(F)F)N
InChI
InChI=1S/C3H6F3NS/c4-3(5,6)8-2-1-7/h1-2,7H2
InChIKey
PQTQMKOWDYNUNW-UHFFFAOYSA-N
Compound name
2-(trifluoromethylsulfanyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

145.0173 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.02458 121.8
[M+Na]+ 168.00652 129.8
[M-H]- 144.01002 118.0
[M+NH4]+ 163.05112 143.2
[M+K]+ 183.98046 127.9
[M+H-H2O]+ 128.01456 114.7
[M+HCOO]- 190.01550 136.6
[M+CH3COO]- 204.03115 174.1
[M+Na-2H]- 165.99197 124.9
[M]+ 145.01675 117.9
[M]- 145.01785 117.9
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