CID 66520047

1251848-80-2

Structural Information

Molecular Formula
C14H23BO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)C(C)(C)C
InChI
InChI=1S/C14H23BO2S/c1-12(2,3)10-8-9-11(18-10)15-16-13(4,5)14(6,7)17-15/h8-9H,1-7H3
InChIKey
USUGMJSRDLAGTR-UHFFFAOYSA-N
Compound name
2-(5-tert-butylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

266.15118 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15846 155.1
[M+Na]+ 289.14040 164.9
[M-H]- 265.14390 164.2
[M+NH4]+ 284.18500 178.3
[M+K]+ 305.11434 165.2
[M+H-H2O]+ 249.14844 153.6
[M+HCOO]- 311.14938 170.5
[M+CH3COO]- 325.16503 195.7
[M+Na-2H]- 287.12585 157.8
[M]+ 266.15063 161.4
[M]- 266.15173 161.4
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