CID 71306496

[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-thiazol-2-yl-methanol

Structural Information

Molecular Formula
C16H20BNO3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(C3=NC=CS3)O
InChI
InChI=1S/C16H20BNO3S/c1-15(2)16(3,4)21-17(20-15)12-7-5-6-11(10-12)13(19)14-18-8-9-22-14/h5-10,13,19H,1-4H3
InChIKey
MVAJNJUOLYFDDW-UHFFFAOYSA-N
Compound name
[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(1,3-thiazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1257 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.13298 168.2
[M+Na]+ 340.11492 177.4
[M-H]- 316.11842 177.9
[M+NH4]+ 335.15952 186.6
[M+K]+ 356.08886 176.5
[M+H-H2O]+ 300.12296 163.9
[M+HCOO]- 362.12390 182.5
[M+CH3COO]- 376.13955 180.8
[M+Na-2H]- 338.10037 168.5
[M]+ 317.12515 172.9
[M]- 317.12625 172.9
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

No patent data available for this compound.