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

7
Patents

266.15118 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.158456 155.1
[M+Na]+ 289.140398 164.9
[M-H]- 265.143904 164.2
[M+NH4]+ 284.185003 178.3
[M+K]+ 305.114338 165.2
[M+H-H2O]+ 249.148440 153.6
[M+HCOO]- 311.149381 170.5
[M+CH3COO]- 325.165031 195.7
[M+Na-2H]- 287.125846 157.8
[M]+ 266.15063142 161.4
[M]- 266.15172858 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