CID 85791447

C6f13c2h4sch2ch2nh2

Structural Information

Molecular Formula
C10H10F13NS
SMILES
C(CSCCN)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H10F13NS/c11-5(12,1-3-25-4-2-24)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h1-4,24H2
InChIKey
KHSFYUBENHDUNX-UHFFFAOYSA-N
Compound name
2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfanyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

42
Patents

423.03262 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.03990 179.3
[M+Na]+ 446.02184 186.1
[M-H]- 422.02534 163.6
[M+NH4]+ 441.06644 188.1
[M+K]+ 461.99578 181.3
[M+H-H2O]+ 406.02988 164.2
[M+HCOO]- 468.03082 174.6
[M+CH3COO]- 482.04647 226.2
[M+Na-2H]- 444.00729 178.8
[M]+ 423.03207 160.6
[M]- 423.03317 160.6
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.