CID 133662273

2223038-84-2

Structural Information

Molecular Formula
C10H15BClNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(S2)Cl)C
InChI
InChI=1S/C10H15BClNO2S/c1-6-7(16-8(12)13-6)11-14-9(2,3)10(4,5)15-11/h1-5H3
InChIKey
MWKODEQWMQIHEB-UHFFFAOYSA-N
Compound name
2-chloro-4-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

259.06052 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.06780 148.0
[M+Na]+ 282.04974 160.3
[M-H]- 258.05324 156.2
[M+NH4]+ 277.09434 170.9
[M+K]+ 298.02368 159.2
[M+H-H2O]+ 242.05778 145.9
[M+HCOO]- 304.05872 160.1
[M+CH3COO]- 318.07437 191.6
[M+Na-2H]- 280.03519 149.6
[M]+ 259.05997 155.7
[M]- 259.06107 155.7
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

No patent data available for this compound.