CID 11601223

889672-72-4

Structural Information

Molecular Formula
C9H13BClNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(S2)Cl
InChI
InChI=1S/C9H13BClNO2S/c1-8(2)9(3,4)14-10(13-8)6-5-12-7(11)15-6/h5H,1-4H3
InChIKey
UAXMSLFTXSRLPV-UHFFFAOYSA-N
Compound name
2-chloro-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

245.04486 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05214 144.7
[M+Na]+ 268.03408 156.6
[M-H]- 244.03758 152.7
[M+NH4]+ 263.07868 167.9
[M+K]+ 284.00802 155.7
[M+H-H2O]+ 228.04212 142.3
[M+HCOO]- 290.04306 157.2
[M+CH3COO]- 304.05871 159.5
[M+Na-2H]- 266.01953 147.3
[M]+ 245.04431 151.6
[M]- 245.04541 151.6
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