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]+ 172.021386 117.1
[M+Na]+ 194.003328 126.5
[M-H]- 170.006834 111.3
[M+NH4]+ 189.047933 137.5
[M+K]+ 209.977268 124.1
[M+H-H2O]+ 154.011370 109.2
[M+HCOO]- 216.012311 130.6
[M+CH3COO]- 230.027961 178.2
[M+Na-2H]- 191.988776 118.0
[M]+ 171.01356142 110.3
[M]- 171.01465858 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.