CID 23058092

596819-12-4

Structural Information

Molecular Formula
C11H17BO3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)OC
InChI
InChI=1S/C11H17BO3S/c1-10(2)11(3,4)15-12(14-10)8-6-7-9(13-5)16-8/h6-7H,1-5H3
InChIKey
WAUOLRNNTGNWJP-UHFFFAOYSA-N
Compound name
2-(5-methoxythiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

240.09915 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10643 145.9
[M+Na]+ 263.08837 156.4
[M-H]- 239.09187 155.2
[M+NH4]+ 258.13297 169.9
[M+K]+ 279.06231 157.2
[M+H-H2O]+ 223.09641 143.9
[M+HCOO]- 285.09735 163.9
[M+CH3COO]- 299.11300 189.1
[M+Na-2H]- 261.07382 149.0
[M]+ 240.09860 153.1
[M]- 240.09970 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe