CID 75487229

1381940-44-8

Structural Information

Molecular Formula
C17H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C=C(C=C3)C=O
InChI
InChI=1S/C17H19BO3/c1-16(2)17(3,4)21-18(20-16)15-8-7-13-9-12(11-19)5-6-14(13)10-15/h5-11H,1-4H3
InChIKey
QIVASFACMOHKLY-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

282.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15001 160.9
[M+Na]+ 305.13195 171.5
[M-H]- 281.13545 170.8
[M+NH4]+ 300.17655 181.7
[M+K]+ 321.10589 170.1
[M+H-H2O]+ 265.13999 155.5
[M+HCOO]- 327.14093 180.8
[M+CH3COO]- 341.15658 201.0
[M+Na-2H]- 303.11740 166.9
[M]+ 282.14218 165.3
[M]- 282.14328 165.3
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