CID 140843218

2,6-dimethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

Structural Information

Molecular Formula
C15H21BO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)OC)C=O)OC
InChI
InChI=1S/C15H21BO5/c1-14(2)15(3,4)21-16(20-14)10-7-12(18-5)11(9-17)13(8-10)19-6/h7-9H,1-6H3
InChIKey
CCRSACSNVZQUJU-UHFFFAOYSA-N
Compound name
2,6-dimethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

292.1482 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.155476 158.2
[M+Na]+ 315.137418 168.6
[M-H]- 291.140924 167.5
[M+NH4]+ 310.182023 177.9
[M+K]+ 331.111358 169.7
[M+H-H2O]+ 275.145460 154.2
[M+HCOO]- 337.146401 179.4
[M+CH3COO]- 351.162051 203.0
[M+Na-2H]- 313.122866 163.1
[M]+ 292.14765142 166.7
[M]- 292.14874858 166.7
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