CID 66521317

1402166-32-8

Structural Information

Molecular Formula
C9H13BBrNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(S2)Br
InChI
InChI=1S/C9H13BBrNO2S/c1-8(2)9(3,4)14-10(13-8)6-5-12-7(11)15-6/h5H,1-4H3
InChIKey
ZTEXJAZNSCUXJP-UHFFFAOYSA-N
Compound name
2-bromo-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

288.99435 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.00163 142.9
[M+Na]+ 311.98357 157.8
[M-H]- 287.98707 153.6
[M+NH4]+ 307.02817 167.3
[M+K]+ 327.95751 150.2
[M+H-H2O]+ 271.99161 146.6
[M+HCOO]- 333.99255 158.5
[M+CH3COO]- 348.00820 159.9
[M+Na-2H]- 309.96902 148.1
[M]+ 288.99380 167.1
[M]- 288.99490 167.1
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.