CID 75487332

1416721-79-3

Structural Information

Molecular Formula
C12H15BClNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2C=O)Cl
InChI
InChI=1S/C12H15BClNO3/c1-11(2)12(3,4)18-13(17-11)9-6-15-10(14)5-8(9)7-16/h5-7H,1-4H3
InChIKey
XQDJQRYJJHGRTJ-UHFFFAOYSA-N
Compound name
2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.08334 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09062 151.2
[M+Na]+ 290.07256 162.8
[M-H]- 266.07606 158.9
[M+NH4]+ 285.11716 171.1
[M+K]+ 306.04650 161.4
[M+H-H2O]+ 250.08060 146.8
[M+HCOO]- 312.08154 167.0
[M+CH3COO]- 326.09719 194.8
[M+Na-2H]- 288.05801 156.8
[M]+ 267.08279 157.4
[M]- 267.08389 157.4
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.