CID 131585198

2470437-67-1

Structural Information

Molecular Formula
C2H6F5NS
SMILES
C(CS(F)(F)(F)(F)F)N
InChI
InChI=1S/C2H6F5NS/c3-9(4,5,6,7)2-1-8/h1-2,8H2
InChIKey
KVNJCFFSPNARBA-UHFFFAOYSA-N
Compound name
2-(pentafluoro-lambda6-sulfanyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.01411 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.02139 117.1
[M+Na]+ 194.00333 126.5
[M-H]- 170.00683 111.3
[M+NH4]+ 189.04793 137.5
[M+K]+ 209.97727 124.1
[M+H-H2O]+ 154.01137 109.2
[M+HCOO]- 216.01231 130.6
[M+CH3COO]- 230.02796 178.2
[M+Na-2H]- 191.98878 118.0
[M]+ 171.01356 110.3
[M]- 171.01466 110.3
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

No patent data available for this compound.