CID 2773343

396131-82-1

Structural Information

Molecular Formula
C14H18BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CC#N
InChI
InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)12-7-5-6-11(10-12)8-9-16/h5-7,10H,8H2,1-4H3
InChIKey
LIWPKYSGWSFPEE-UHFFFAOYSA-N
Compound name
2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

243.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15035 148.3
[M+Na]+ 266.13229 160.5
[M+NH4]+ 261.17689 155.6
[M+K]+ 282.10623 150.1
[M-H]- 242.13579 146.5
[M+Na-2H]- 264.11774 154.1
[M]+ 243.14252 149.1
[M]- 243.14362 149.1
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