CID 70871528

1314390-00-5

Structural Information

Molecular Formula
C15H18BNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3=NC=CS3
InChI
InChI=1S/C15H18BNO2S/c1-14(2)15(3,4)19-16(18-14)12-7-5-6-11(10-12)13-17-8-9-20-13/h5-10H,1-4H3
InChIKey
ZSCXDBIOJYOTAI-UHFFFAOYSA-N
Compound name
2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

287.11514 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12242 159.5
[M+Na]+ 310.10436 170.4
[M-H]- 286.10786 170.8
[M+NH4]+ 305.14896 180.1
[M+K]+ 326.07830 169.4
[M+H-H2O]+ 270.11240 155.0
[M+HCOO]- 332.11334 176.6
[M+CH3COO]- 346.12899 173.6
[M+Na-2H]- 308.08981 161.4
[M]+ 287.11459 164.9
[M]- 287.11569 164.9
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