CID 72220353

1973516-90-3

Structural Information

Molecular Formula
C11H16BClN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2Cl)N
InChI
InChI=1S/C11H16BClN2O2/c1-10(2)11(3,4)17-12(16-10)8-5-7(14)6-15-9(8)13/h5-6H,14H2,1-4H3
InChIKey
XBLGDXHFJUQAKZ-UHFFFAOYSA-N
Compound name
6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.09933 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.106606 151.8
[M+Na]+ 277.088548 162.8
[M-H]- 253.092054 159.0
[M+NH4]+ 272.133153 171.8
[M+K]+ 293.062488 161.1
[M+H-H2O]+ 237.096590 147.2
[M+HCOO]- 299.097531 167.9
[M+CH3COO]- 313.113181 194.8
[M+Na-2H]- 275.073996 156.9
[M]+ 254.09878142 155.3
[M]- 254.09987858 155.3
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.