CID 66697930

1352796-64-5

Structural Information

Molecular Formula
C13H16BNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)SC=N3
InChI
InChI=1S/C13H16BNO2S/c1-12(2)13(3,4)17-14(16-12)9-6-5-7-10-11(9)15-8-18-10/h5-8H,1-4H3
InChIKey
ZDYAYCZYNMMQMJ-UHFFFAOYSA-N
Compound name
4-(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

52
Patents

261.0995 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.106776 151.6
[M+Na]+ 284.088718 164.4
[M-H]- 260.092224 161.0
[M+NH4]+ 279.133323 174.7
[M+K]+ 300.062658 163.5
[M+H-H2O]+ 244.096760 148.0
[M+HCOO]- 306.097701 169.1
[M+CH3COO]- 320.113351 166.7
[M+Na-2H]- 282.074166 156.0
[M]+ 261.09895142 159.1
[M]- 261.10004858 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

No literature data available for this compound.

Patent stripe

patents stripe