CID 54595580

4,4,5,5-tetramethyl-2-{3-[(methylsulfanyl)methyl]phenyl}-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H21BO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CSC
InChI
InChI=1S/C14H21BO2S/c1-13(2)14(3,4)17-15(16-13)12-8-6-7-11(9-12)10-18-5/h6-9H,10H2,1-5H3
InChIKey
INHVOEQSPJORCU-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[3-(methylsulfanylmethyl)phenyl]-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 157.6
[M+Na]+ 287.12475 170.0
[M+NH4]+ 282.16935 169.5
[M+K]+ 303.09869 160.0
[M-H]- 263.12825 164.1
[M+Na-2H]- 285.11020 165.6
[M]+ 264.13498 162.2
[M]- 264.13608 162.2
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.