CID 66787888

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-naphthonitrile

Structural Information

Molecular Formula
C17H18BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C=C(C=C3)C#N
InChI
InChI=1S/C17H18BNO2/c1-16(2)17(3,4)21-18(20-16)15-8-7-13-9-12(11-19)5-6-14(13)10-15/h5-10H,1-4H3
InChIKey
YNTSTDGIFFKKPW-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
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

No literature data available for this compound.

Patent stripe

patents stripe