CID 45114004

1225053-32-6

Structural Information

Molecular Formula
C15H18BNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(S2)C3=CC=CC=C3
InChI
InChI=1S/C15H18BNO2S/c1-14(2)15(3,4)19-16(18-14)12-10-17-13(20-12)11-8-6-5-7-9-11/h5-10H,1-4H3
InChIKey
WQSYNFUNPLJVSS-UHFFFAOYSA-N
Compound name
2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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

literature stripe

Patent stripe

patents stripe