CID 101757815

Ns00114953

Structural Information

Molecular Formula
C11H13F9NS
SMILES
C1=CC=[N+](C=C1)CCCCC(C(F)(F)S(F)(F)(F)(F)F)(F)F
InChI
InChI=1S/C11H13F9NS/c12-10(13,11(14,15)22(16,17,18,19)20)6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8H,2,5-6,9H2/q+1
InChIKey
ADDNNJMCKPIAMT-UHFFFAOYSA-N
Compound name
pentafluoro-(1,1,2,2-tetrafluoro-6-pyridin-1-ium-1-ylhexyl)-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.0625 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.06978 159.6
[M+Na]+ 385.05172 168.6
[M-H]- 361.05522 151.0
[M+NH4]+ 380.09632 171.1
[M+K]+ 401.02566 157.6
[M+H-H2O]+ 345.05976 149.0
[M+HCOO]- 407.06070 163.3
[M+CH3COO]- 421.07635 204.8
[M+Na-2H]- 383.03717 161.6
[M]+ 362.06195 148.7
[M]- 362.06305 148.7
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.