CID 101757816

Ns00114964

Structural Information

Molecular Formula
C8H10F9N2S
SMILES
C[N+]1=CN(C=C1)CCC(C(F)(F)S(F)(F)(F)(F)F)(F)F
InChI
InChI=1S/C8H10F9N2S/c1-18-4-5-19(6-18)3-2-7(9,10)8(11,12)20(13,14,15,16)17/h4-6H,2-3H2,1H3/q+1
InChIKey
IUWRKXFQGZDRNY-UHFFFAOYSA-N
Compound name
pentafluoro-[1,1,2,2-tetrafluoro-4-(3-methylimidazol-3-ium-1-yl)butyl]-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.04208 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.04936 149.3
[M+Na]+ 360.03130 160.4
[M-H]- 336.03480 140.5
[M+NH4]+ 355.07590 162.7
[M+K]+ 376.00524 150.6
[M+H-H2O]+ 320.03934 139.6
[M+HCOO]- 382.04028 153.6
[M+CH3COO]- 396.05593 199.8
[M+Na-2H]- 358.01675 150.5
[M]+ 337.04153 139.0
[M]- 337.04263 139.0
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.