CID 137952243

2-[6-(2-methoxyethoxy)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C19H25BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C=C(C=C3)OCCOC
InChI
InChI=1S/C19H25BO4/c1-18(2)19(3,4)24-20(23-18)16-8-6-15-13-17(22-11-10-21-5)9-7-14(15)12-16/h6-9,12-13H,10-11H2,1-5H3
InChIKey
OXLAKSGJOBBYIL-UHFFFAOYSA-N
Compound name
2-[6-(2-methoxyethoxy)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1846 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.19188 174.7
[M+Na]+ 351.17382 183.9
[M-H]- 327.17732 184.1
[M+NH4]+ 346.21842 193.5
[M+K]+ 367.14776 183.3
[M+H-H2O]+ 311.18186 168.7
[M+HCOO]- 373.18280 193.8
[M+CH3COO]- 387.19845 209.8
[M+Na-2H]- 349.15927 179.7
[M]+ 328.18405 181.9
[M]- 328.18515 181.9
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.