CID 71310667

1257642-71-9

Structural Information

Molecular Formula
C10H10BClN2O4
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=CN=C(C=C2)Cl
InChI
InChI=1S/C10H10BClN2O4/c1-14-5-9(15)17-11(18-10(16)6-14)7-2-3-8(12)13-4-7/h2-4H,5-6H2,1H3
InChIKey
PVUDAIRKNDZTBL-UHFFFAOYSA-N
Compound name
2-(6-chloropyridin-3-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0422 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.04948 153.2
[M+Na]+ 291.03142 157.7
[M+NH4]+ 286.07602 155.4
[M+K]+ 307.00536 157.1
[M-H]- 267.03492 154.6
[M+Na-2H]- 289.01687 155.8
[M]+ 268.04165 154.2
[M]- 268.04275 154.2
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.