CID 101479853

N:2 ftsoham n=2

Structural Information

Molecular Formula
C12H19F9NOS
SMILES
C[N+](C)(C)CC(CSCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C12H19F9NOS/c1-22(2,3)6-8(23)7-24-5-4-9(13,14)10(15,16)11(17,18)12(19,20)21/h8,23H,4-7H2,1-3H3/q+1
InChIKey
MXPRINKCJCMRKD-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

396.10437 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.11165 170.8
[M+Na]+ 419.09359 176.1
[M-H]- 395.09709 159.7
[M+NH4]+ 414.13819 193.2
[M+K]+ 435.06753 167.7
[M+H-H2O]+ 379.10163 161.3
[M+HCOO]- 441.10257 207.7
[M+CH3COO]- 455.11822 216.7
[M+Na-2H]- 417.07904 174.3
[M]+ 396.10382 159.1
[M]- 396.10492 159.1
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.