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

4
Patents

287.11514 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12242 160.7
[M+Na]+ 310.10436 173.8
[M+NH4]+ 305.14896 172.5
[M+K]+ 326.07830 165.7
[M-H]- 286.10786 168.3
[M+Na-2H]- 308.08981 170.2
[M]+ 287.11459 165.7
[M]- 287.11569 165.7
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