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 157.7
[M+Na]+ 291.03142 163.7
[M-H]- 267.03492 160.3
[M+NH4]+ 286.07602 163.3
[M+K]+ 307.00536 163.9
[M+H-H2O]+ 251.03946 153.1
[M+HCOO]- 313.04040 163.3
[M+CH3COO]- 327.05605 226.9
[M+Na-2H]- 289.01687 157.6
[M]+ 268.04165 158.6
[M]- 268.04275 158.6
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.