CID 99779912

1338083-27-4

Structural Information

Molecular Formula
C16H14BF13O2S
SMILES
B1(OC(C(O1)(C)C)(C)C)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/C16H14BF13O2S/c1-9(2)10(3,4)32-17(31-9)8-6-5-7(33-8)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)30/h5-6H,1-4H3
InChIKey
SCCANANFFIZWAW-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)thiophen-2-yl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

528.06 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.06728 189.9
[M+Na]+ 551.04922 189.7
[M+NH4]+ 546.09382 189.3
[M+K]+ 567.02316 187.9
[M-H]- 527.05272 186.0
[M+Na-2H]- 549.03467 188.0
[M]+ 528.05945 188.8
[M]- 528.06055 188.8
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

patents stripe