CID 46739030

1073354-91-2

Structural Information

Molecular Formula
C13H16BNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)SC=N3
InChI
InChI=1S/C13H16BNO2S/c1-12(2)13(3,4)17-14(16-12)9-5-6-11-10(7-9)15-8-18-11/h5-8H,1-4H3
InChIKey
MGOKEBHEDJCRQN-UHFFFAOYSA-N
Compound name
5-(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

372
Patents

261.0995 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10678 151.6
[M+Na]+ 284.08872 164.4
[M-H]- 260.09222 161.0
[M+NH4]+ 279.13332 174.7
[M+K]+ 300.06266 163.5
[M+H-H2O]+ 244.09676 148.0
[M+HCOO]- 306.09770 169.1
[M+CH3COO]- 320.11335 166.7
[M+Na-2H]- 282.07417 156.0
[M]+ 261.09895 159.1
[M]- 261.10005 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe