CID 130114434

1884387-49-8

Structural Information

Molecular Formula
C10H15BBrNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(S2)C)Br
InChI
InChI=1S/C10H15BBrNO2S/c1-6-13-8(12)7(16-6)11-14-9(2,3)10(4,5)15-11/h1-5H3
InChIKey
XLQCBYMZKFXANR-UHFFFAOYSA-N
Compound name
4-bromo-2-methyl-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

0
Patents

303.00998 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.01726 146.1
[M+Na]+ 325.99920 161.3
[M-H]- 302.00270 156.9
[M+NH4]+ 321.04380 170.2
[M+K]+ 341.97314 153.4
[M+H-H2O]+ 286.00724 149.9
[M+HCOO]- 348.00818 161.3
[M+CH3COO]- 362.02383 197.2
[M+Na-2H]- 323.98465 150.4
[M]+ 303.00943 170.9
[M]- 303.01053 170.9
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.