CID 67997556

1352794-90-1

Structural Information

Molecular Formula
C17H18BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C3=CC=CC=C23)C#N
InChI
InChI=1S/C17H18BNO2/c1-16(2)17(3,4)21-18(20-16)15-10-9-12(11-19)13-7-5-6-8-14(13)15/h5-10H,1-4H3
InChIKey
ASVBKJRSNMSCCA-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

279.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15035 162.0
[M+Na]+ 302.13229 175.8
[M-H]- 278.13579 170.2
[M+NH4]+ 297.17689 181.0
[M+K]+ 318.10623 169.7
[M+H-H2O]+ 262.14033 149.9
[M+HCOO]- 324.14127 178.5
[M+CH3COO]- 338.15692 174.3
[M+Na-2H]- 300.11774 167.4
[M]+ 279.14252 160.3
[M]- 279.14362 160.3
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

patents stripe