CID 140672171

1706754-49-5

Structural Information

Molecular Formula
C12H17BClNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C(=O)C(=C2)Cl)C
InChI
InChI=1S/C12H17BClNO3/c1-11(2)12(3,4)18-13(17-11)8-6-9(14)10(16)15(5)7-8/h6-7H,1-5H3
InChIKey
CPSNKWDUAGTMLH-UHFFFAOYSA-N
Compound name
3-chloro-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

269.099 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10628 152.8
[M+Na]+ 292.08822 167.2
[M+NH4]+ 287.13282 163.3
[M+K]+ 308.06216 159.9
[M-H]- 268.09172 157.9
[M+Na-2H]- 290.07367 160.7
[M]+ 269.09845 157.0
[M]- 269.09955 157.0
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

patents stripe