CID 165995351

En300-37354240

Structural Information

Molecular Formula
C15H21BO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)SCCC3
InChI
InChI=1S/C15H21BO2S/c1-14(2)15(3,4)18-16(17-14)12-7-8-13-11(10-12)6-5-9-19-13/h7-8,10H,5-6,9H2,1-4H3
InChIKey
KIPUOHBOMZAJPH-UHFFFAOYSA-N
Compound name
2-(3,4-dihydro-2H-thiochromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.13553 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.14281 158.5
[M+Na]+ 299.12475 167.1
[M-H]- 275.12825 167.5
[M+NH4]+ 294.16935 180.0
[M+K]+ 315.09869 166.2
[M+H-H2O]+ 259.13279 154.1
[M+HCOO]- 321.13373 171.3
[M+CH3COO]- 335.14938 171.4
[M+Na-2H]- 297.11020 162.1
[M]+ 276.13498 160.8
[M]- 276.13608 160.8
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.