CID 46738015

1168135-03-2

Structural Information

Molecular Formula
C12H15BN2O2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=NSN=C3C=C2
InChI
InChI=1S/C12H15BN2O2S/c1-11(2)12(3,4)17-13(16-11)8-5-6-9-10(7-8)15-18-14-9/h5-7H,1-4H3
InChIKey
KISHNZJGTMYYKH-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

262.09473 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10201 150.9
[M+Na]+ 285.08395 164.1
[M-H]- 261.08745 159.0
[M+NH4]+ 280.12855 172.6
[M+K]+ 301.05789 163.4
[M+H-H2O]+ 245.09199 146.4
[M+HCOO]- 307.09293 167.5
[M+CH3COO]- 321.10858 165.6
[M+Na-2H]- 283.06940 155.3
[M]+ 262.09418 158.4
[M]- 262.09528 158.4
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