CID 125485754

2-iodo-4-(tridecafluorohexyl)thiophene

Structural Information

Molecular Formula
C10H2F13IS
SMILES
C1=C(SC=C1C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C10H2F13IS/c11-5(12,3-1-4(24)25-2-3)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h1-2H
InChIKey
IHWUPJCZUQXEQR-UHFFFAOYSA-N
Compound name
2-iodo-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

527.87146 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.87874 179.0
[M+Na]+ 550.86068 182.4
[M-H]- 526.86418 162.7
[M+NH4]+ 545.90528 186.4
[M+K]+ 566.83462 183.1
[M+H-H2O]+ 510.86872 162.2
[M+HCOO]- 572.86966 173.0
[M+CH3COO]- 586.88531 227.4
[M+Na-2H]- 548.84613 169.1
[M]+ 527.87091 160.8
[M]- 527.87201 160.8
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.