CID 16046298

5-(tridecafluorohexyl)-2,2'-bithiophene

Structural Information

Molecular Formula
C14H5F13S2
SMILES
C1=CSC(=C1)C2=CC=C(S2)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H5F13S2/c15-9(16,8-4-3-7(29-8)6-2-1-5-28-6)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h1-5H
InChIKey
KILCWELZTSEPSB-UHFFFAOYSA-N
Compound name
2-thiophen-2-yl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7
Patents

483.9625 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.96978 187.8
[M+Na]+ 506.95172 198.4
[M-H]- 482.95522 180.1
[M+NH4]+ 501.99632 198.9
[M+K]+ 522.92566 192.3
[M+H-H2O]+ 466.95976 173.3
[M+HCOO]- 528.96070 183.4
[M+CH3COO]- 542.97635 229.1
[M+Na-2H]- 504.93717 186.8
[M]+ 483.96195 174.9
[M]- 483.96305 174.9
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

patents stripe