CID 10601524

2-(heptadecafluorooctyl)thiophene

Structural Information

Molecular Formula
C12H3F17S
SMILES
C1=CSC(=C1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H3F17S/c13-5(14,4-2-1-3-30-4)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h1-3H
InChIKey
JEHFODHLGGKHGC-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

501.9684 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.97568 163.3
[M+Na]+ 524.95762 163.4
[M+NH4]+ 520.00222 163.2
[M+K]+ 540.93156 163.6
[M-H]- 500.96112 162.0
[M+Na-2H]- 522.94307 163.6
[M]+ 501.96785 162.9
[M]- 501.96895 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe