CID 20816337

837392-69-5

Structural Information

Molecular Formula
C14H18BNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=C(S3)C
InChI
InChI=1S/C14H18BNO2S/c1-9-16-11-7-6-10(8-12(11)19-9)15-17-13(2,3)14(4,5)18-15/h6-8H,1-5H3
InChIKey
VRSPWYOVZXBUGL-UHFFFAOYSA-N
Compound name
2-methyl-6-(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

63
Patents

275.11514 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12242 155.3
[M+Na]+ 298.10436 168.4
[M-H]- 274.10786 164.8
[M+NH4]+ 293.14896 178.1
[M+K]+ 314.07830 167.3
[M+H-H2O]+ 258.11240 151.8
[M+HCOO]- 320.11334 172.4
[M+CH3COO]- 334.12899 170.3
[M+Na-2H]- 296.08981 158.7
[M]+ 275.11459 163.5
[M]- 275.11569 163.5
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