CID 101757812

Ns00114963

Structural Information

Molecular Formula
C10H14F9N2S
SMILES
C[N+]1=CN(C=C1)CCCCC(C(F)(F)S(F)(F)(F)(F)F)(F)F
InChI
InChI=1S/C10H14F9N2S/c1-20-6-7-21(8-20)5-3-2-4-9(11,12)10(13,14)22(15,16,17,18)19/h6-8H,2-5H2,1H3/q+1
InChIKey
JMWNXFITAHIDAT-UHFFFAOYSA-N
Compound name
pentafluoro-[1,1,2,2-tetrafluoro-6-(3-methylimidazol-3-ium-1-yl)hexyl]-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.0734 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.08068 158.4
[M+Na]+ 388.06262 168.7
[M-H]- 364.06612 149.3
[M+NH4]+ 383.10722 170.7
[M+K]+ 404.03656 158.5
[M+H-H2O]+ 348.07066 148.4
[M+HCOO]- 410.07160 162.1
[M+CH3COO]- 424.08725 205.5
[M+Na-2H]- 386.04807 158.8
[M]+ 365.07285 148.9
[M]- 365.07395 148.9
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.