CID 165881947

En300-35038867

Structural Information

Molecular Formula
C18H21BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC(=CC3=CC=C2)C(=O)OC
InChI
InChI=1S/C18H21BO4/c1-17(2)18(3,4)23-19(22-17)15-8-6-7-12-11-13(16(20)21-5)9-10-14(12)15/h6-11H,1-5H3
InChIKey
XPMZPISIGOKGHY-UHFFFAOYSA-N
Compound name
methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1533 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16058 169.1
[M+Na]+ 335.14252 178.8
[M-H]- 311.14602 178.8
[M+NH4]+ 330.18712 188.5
[M+K]+ 351.11646 178.4
[M+H-H2O]+ 295.15056 163.7
[M+HCOO]- 357.15150 187.7
[M+CH3COO]- 371.16715 206.4
[M+Na-2H]- 333.12797 173.6
[M]+ 312.15275 174.6
[M]- 312.15385 174.6
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.