CID 124251596

2246611-07-2

Structural Information

Molecular Formula
C11H14BF3O2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(SC=C2)C(F)(F)F
InChI
InChI=1S/C11H14BF3O2S/c1-9(2)10(3,4)17-12(16-9)7-5-6-18-8(7)11(13,14)15/h5-6H,1-4H3
InChIKey
COSDJCHZVQOKMZ-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[2-(trifluoromethyl)thiophen-3-yl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

278.07596 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08324 149.9
[M+Na]+ 301.06518 161.0
[M-H]- 277.06868 155.3
[M+NH4]+ 296.10978 172.3
[M+K]+ 317.03912 160.7
[M+H-H2O]+ 261.07322 145.9
[M+HCOO]- 323.07416 163.1
[M+CH3COO]- 337.08981 194.9
[M+Na-2H]- 299.05063 152.4
[M]+ 278.07541 151.8
[M]- 278.07651 151.8
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