CID 167728881

En300-34763515

Structural Information

Molecular Formula
C15H17BF2O2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)SC(=C3)C(F)F
InChI
InChI=1S/C15H17BF2O2S/c1-14(2)15(3,4)20-16(19-14)10-5-6-11-9(7-10)8-12(21-11)13(17)18/h5-8,13H,1-4H3
InChIKey
NCGHTOXPKYRMIL-UHFFFAOYSA-N
Compound name
2-[2-(difluoromethyl)-1-benzothiophen-5-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 162.2
[M+Na]+ 333.09026 174.5
[M-H]- 309.09376 170.2
[M+NH4]+ 328.13486 184.6
[M+K]+ 349.06420 172.8
[M+H-H2O]+ 293.09830 157.9
[M+HCOO]- 355.09924 177.0
[M+CH3COO]- 369.11489 176.1
[M+Na-2H]- 331.07571 163.4
[M]+ 310.10049 167.6
[M]- 310.10159 167.6
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.