CID 22240141

627525-98-8

Structural Information

Molecular Formula
C17H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=C(C=CC3=CC=C2)OC
InChI
InChI=1S/C17H21BO3/c1-16(2)17(3,4)21-18(20-16)15-8-6-7-12-9-10-13(19-5)11-14(12)15/h6-11H,1-5H3
InChIKey
VSHFFEIXNKFLLT-UHFFFAOYSA-N
Compound name
2-(7-methoxynaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

284.1584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.16568 162.1
[M+Na]+ 307.14762 172.5
[M-H]- 283.15112 172.0
[M+NH4]+ 302.19222 183.0
[M+K]+ 323.12156 171.6
[M+H-H2O]+ 267.15566 156.7
[M+HCOO]- 329.15660 181.9
[M+CH3COO]- 343.17225 201.8
[M+Na-2H]- 305.13307 168.1
[M]+ 284.15785 167.3
[M]- 284.15895 167.3
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