CID 22171326

643094-08-0

Structural Information

Molecular Formula
C18H21BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C3=CC=CC=C23)C(=O)OC
InChI
InChI=1S/C18H21BO4/c1-17(2)18(3,4)23-19(22-17)15-11-10-14(16(20)21-5)12-8-6-7-9-13(12)15/h6-11H,1-5H3
InChIKey
MWKGABJHBKAZOW-UHFFFAOYSA-N
Compound name
methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

312.1533 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16058 169.0
[M+Na]+ 335.14252 182.3
[M+NH4]+ 330.18712 179.7
[M+K]+ 351.11646 174.7
[M-H]- 311.14602 175.2
[M+Na-2H]- 333.12797 176.4
[M]+ 312.15275 173.1
[M]- 312.15385 173.1
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