CID 46739806

1002309-47-8

Structural Information

Molecular Formula
C13H16BNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=CS3
InChI
InChI=1S/C13H16BNO2S/c1-12(2)13(3,4)17-14(16-12)9-5-6-10-11(7-9)18-8-15-10/h5-8H,1-4H3
InChIKey
VLJNKSRMMHATGX-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

261.0995 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10678 153.2
[M+Na]+ 284.08872 166.6
[M+NH4]+ 279.13332 165.5
[M+K]+ 300.06266 158.6
[M-H]- 260.09222 159.4
[M+Na-2H]- 282.07417 161.3
[M]+ 261.09895 157.9
[M]- 261.10005 157.9
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