CID 66521201

4-cyclopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Structural Information

Molecular Formula
C16H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C3CC3)C#N
InChI
InChI=1S/C16H20BNO2/c1-15(2)16(3,4)20-17(19-15)14-9-12(11-5-6-11)7-8-13(14)10-18/h7-9,11H,5-6H2,1-4H3
InChIKey
CGLKRIKWVKTYOH-UHFFFAOYSA-N
Compound name
4-cyclopropyl-2-(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

269.15872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.16600 150.9
[M+Na]+ 292.14794 168.5
[M-H]- 268.15144 163.3
[M+NH4]+ 287.19254 166.6
[M+K]+ 308.12188 162.7
[M+H-H2O]+ 252.15598 142.5
[M+HCOO]- 314.15692 169.1
[M+CH3COO]- 328.17257 165.0
[M+Na-2H]- 290.13339 157.2
[M]+ 269.15817 153.3
[M]- 269.15927 153.3
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.