CID 155973634

1971085-82-1

Structural Information

Molecular Formula
C14H21BO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)CSCC2=CC=CC=C2
InChI
InChI=1S/C14H21BO2S/c1-13(2)14(3,4)17-15(16-13)11-18-10-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3
InChIKey
QRDZXBURFFTKAW-UHFFFAOYSA-N
Compound name
2-(benzylsulfanylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13553 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14281 157.9
[M+Na]+ 287.12475 170.0
[M+NH4]+ 282.16935 169.8
[M+K]+ 303.09869 159.7
[M-H]- 263.12825 164.4
[M+Na-2H]- 285.11020 166.1
[M]+ 264.13498 162.5
[M]- 264.13608 162.5
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.