CID 46739366

Benzo-2,1,3-thiadiazole-4-boronic acid

Structural Information

Molecular Formula
C6H5BN2O2S
SMILES
B(C1=CC=CC2=NSN=C12)(O)O
InChI
InChI=1S/C6H5BN2O2S/c10-7(11)4-2-1-3-5-6(4)9-12-8-5/h1-3,10-11H
InChIKey
RVXHEMODAHHASJ-UHFFFAOYSA-N
Compound name
2,1,3-benzothiadiazol-4-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

180.01648 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02376 130.8
[M+Na]+ 203.00570 141.9
[M-H]- 179.00920 131.4
[M+NH4]+ 198.05030 150.7
[M+K]+ 218.97964 138.6
[M+H-H2O]+ 163.01374 125.4
[M+HCOO]- 225.01468 147.2
[M+CH3COO]- 239.03033 144.4
[M+Na-2H]- 200.99115 136.1
[M]+ 180.01593 133.6
[M]- 180.01703 133.6
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