CID 2795455

501945-71-7

Structural Information

Molecular Formula
C14H17BO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)SC=C3
InChI
InChI=1S/C14H17BO2S/c1-13(2)14(3,4)17-15(16-13)11-5-6-12-10(9-11)7-8-18-12/h5-9H,1-4H3
InChIKey
YFTHTJAPODJVSL-UHFFFAOYSA-N
Compound name
2-(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

3761
Patents

260.10422 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.111496 152.6
[M+Na]+ 283.093438 164.9
[M-H]- 259.096944 163.2
[M+NH4]+ 278.138043 177.0
[M+K]+ 299.067378 163.7
[M+H-H2O]+ 243.101480 149.8
[M+HCOO]- 305.102421 170.9
[M+CH3COO]- 319.118071 167.9
[M+Na-2H]- 281.078886 156.9
[M]+ 260.10367142 159.8
[M]- 260.10476858 159.8
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