CID 73553698

1088118-97-1

Structural Information

Molecular Formula
C12H15BN2O2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC3=NSN=C23
InChI
InChI=1S/C12H15BN2O2S/c1-11(2)12(3,4)17-13(16-11)8-6-5-7-9-10(8)15-18-14-9/h5-7H,1-4H3
InChIKey
FRUBQASVNDFUTD-UHFFFAOYSA-N
Compound name
4-(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

23
Patents

262.09473 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10201 153.2
[M+Na]+ 285.08395 166.7
[M+NH4]+ 280.12855 164.9
[M+K]+ 301.05789 159.1
[M-H]- 261.08745 158.7
[M+Na-2H]- 283.06940 161.0
[M]+ 262.09418 157.7
[M]- 262.09528 157.7
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