CID 133678808

2231127-22-1

Structural Information

Molecular Formula
C12H14BClN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(C=C2)C#N)Cl
InChI
InChI=1S/C12H14BClN2O2/c1-11(2)12(3,4)18-13(17-11)9-6-5-8(7-15)16-10(9)14/h5-6H,1-4H3
InChIKey
ZSAMINSEIGFOMT-UHFFFAOYSA-N
Compound name
6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.08368 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09096 148.6
[M+Na]+ 287.07290 162.6
[M-H]- 263.07640 154.8
[M+NH4]+ 282.11750 166.7
[M+K]+ 303.04684 158.2
[M+H-H2O]+ 247.08094 137.1
[M+HCOO]- 309.08188 161.4
[M+CH3COO]- 323.09753 205.4
[M+Na-2H]- 285.05835 154.0
[M]+ 264.08313 148.5
[M]- 264.08423 148.5
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.