CID 53415021

863868-30-8

Structural Information

Molecular Formula
C13H15BClNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C#N)Cl
InChI
InChI=1S/C13H15BClNO2/c1-12(2)13(3,4)18-14(17-12)10-7-9(8-16)5-6-11(10)15/h5-7H,1-4H3
InChIKey
DGMDRBZAUFPUJU-UHFFFAOYSA-N
Compound name
4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.08844 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.09572 146.9
[M+Na]+ 286.07766 160.3
[M+NH4]+ 281.12226 154.6
[M+K]+ 302.05160 149.7
[M-H]- 262.08116 145.3
[M+Na-2H]- 284.06311 153.0
[M]+ 263.08789 148.3
[M]- 263.08899 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.