CID 165706749

5-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

Structural Information

Molecular Formula
C14H18BFO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2F)C=O)OC
InChI
InChI=1S/C14H18BFO4/c1-13(2)14(3,4)20-15(19-13)10-7-12(18-5)9(8-17)6-11(10)16/h6-8H,1-5H3
InChIKey
IZRIQQMZOBGRRC-UHFFFAOYSA-N
Compound name
5-fluoro-2-methoxy-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

1
Patents

280.1282 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.135476 154.1
[M+Na]+ 303.117418 165.2
[M-H]- 279.120924 162.2
[M+NH4]+ 298.162023 174.4
[M+K]+ 319.091358 165.5
[M+H-H2O]+ 263.125460 149.5
[M+HCOO]- 325.126401 174.4
[M+CH3COO]- 339.142051 200.5
[M+Na-2H]- 301.102866 158.7
[M]+ 280.12765142 159.7
[M]- 280.12874858 159.7
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