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]+ 263.102006 150.9
[M+Na]+ 285.083948 164.1
[M-H]- 261.087454 159.0
[M+NH4]+ 280.128553 172.6
[M+K]+ 301.057888 163.4
[M+H-H2O]+ 245.091990 146.4
[M+HCOO]- 307.092931 167.5
[M+CH3COO]- 321.108581 165.6
[M+Na-2H]- 283.069396 155.3
[M]+ 262.09418142 158.4
[M]- 262.09527858 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