CID 46739735

862129-81-5

Structural Information

Molecular Formula
C11H19BO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCSCC2
InChI
InChI=1S/C11H19BO2S/c1-10(2)11(3,4)14-12(13-10)9-5-7-15-8-6-9/h5H,6-8H2,1-4H3
InChIKey
QZVRTORVCKGPPY-UHFFFAOYSA-N
Compound name
2-(3,6-dihydro-2H-thiopyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

344
Patents

226.11989 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.12717 145.2
[M+Na]+ 249.10911 152.8
[M-H]- 225.11261 153.3
[M+NH4]+ 244.15371 167.5
[M+K]+ 265.08305 153.5
[M+H-H2O]+ 209.11715 141.7
[M+HCOO]- 271.11809 159.3
[M+CH3COO]- 285.13374 186.3
[M+Na-2H]- 247.09456 148.8
[M]+ 226.11934 146.8
[M]- 226.12044 146.8
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

patents stripe