CID 131243181

3-[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzonitrile

Structural Information

Molecular Formula
C15H18BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC(=CC=C2)C#N
InChI
InChI=1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)9-8-12-6-5-7-13(10-12)11-17/h5-10H,1-4H3/b9-8+
InChIKey
JMNVNIDLBAPUEI-CMDGGOBGSA-N
Compound name
3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

255.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15035 153.4
[M+Na]+ 278.13229 165.6
[M-H]- 254.13579 160.8
[M+NH4]+ 273.17689 172.2
[M+K]+ 294.10623 161.3
[M+H-H2O]+ 238.14033 142.1
[M+HCOO]- 300.14127 171.0
[M+CH3COO]- 314.15692 205.4
[M+Na-2H]- 276.11774 158.5
[M]+ 255.14252 151.2
[M]- 255.14362 151.2
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

patents stripe