CID 101757819

Ns00114965

Structural Information

Molecular Formula
C10H10F13N2S
SMILES
C[N+]1=CN(C=C1)CCC(C(C(C(F)(F)S(F)(F)(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H10F13N2S/c1-24-4-5-25(6-24)3-2-7(11,12)8(13,14)9(15,16)10(17,18)26(19,20,21,22)23/h4-6H,2-3H2,1H3/q+1
InChIKey
DIJGUPHGRNDVFI-UHFFFAOYSA-N
Compound name
pentafluoro-[1,1,2,2,3,3,4,4-octafluoro-6-(3-methylimidazol-3-ium-1-yl)hexyl]-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.0357 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.04298 169.0
[M+Na]+ 460.02492 179.7
[M-H]- 436.02842 156.2
[M+NH4]+ 455.06952 177.9
[M+K]+ 475.99886 169.4
[M+H-H2O]+ 420.03296 156.7
[M+HCOO]- 482.03390 165.9
[M+CH3COO]- 496.04955 218.0
[M+Na-2H]- 458.01037 169.9
[M]+ 437.03515 152.5
[M]- 437.03625 152.5
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.