CID 124252501

2-(3,4-dihydro-1h-2-benzopyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(COCC3)C=C2
InChI
InChI=1S/C15H21BO3/c1-14(2)15(3,4)19-16(18-14)13-6-5-12-10-17-8-7-11(12)9-13/h5-6,9H,7-8,10H2,1-4H3
InChIKey
WXVWLMJYNSAUFK-UHFFFAOYSA-N
Compound name
2-(3,4-dihydro-1H-isochromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

260.1584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.16568 156.6
[M+Na]+ 283.14762 164.9
[M-H]- 259.15112 166.1
[M+NH4]+ 278.19222 176.5
[M+K]+ 299.12156 165.7
[M+H-H2O]+ 243.15566 151.6
[M+HCOO]- 305.15660 173.0
[M+CH3COO]- 319.17225 169.8
[M+Na-2H]- 281.13307 162.9
[M]+ 260.15785 158.3
[M]- 260.15895 158.3
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