CID 167716608

2-[2-(difluoromethyl)-1-benzothiophen-7-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H17BF2O2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)C=C(S3)C(F)F
InChI
InChI=1S/C15H17BF2O2S/c1-14(2)15(3,4)20-16(19-14)10-7-5-6-9-8-11(13(17)18)21-12(9)10/h5-8,13H,1-4H3
InChIKey
SJHWKSWHAHOKRE-UHFFFAOYSA-N
Compound name
2-[2-(difluoromethyl)-1-benzothiophen-7-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.10104 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.10832 168.8
[M+Na]+ 333.09026 179.5
[M+NH4]+ 328.13486 179.3
[M+K]+ 349.06420 171.8
[M-H]- 309.09376 172.0
[M+Na-2H]- 331.07571 174.2
[M]+ 310.10049 172.1
[M]- 310.10159 172.1
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.