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

0
Patents

280.1282 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13548 154.1
[M+Na]+ 303.11742 165.2
[M-H]- 279.12092 162.2
[M+NH4]+ 298.16202 174.4
[M+K]+ 319.09136 165.5
[M+H-H2O]+ 263.12546 149.5
[M+HCOO]- 325.12640 174.4
[M+CH3COO]- 339.14205 200.5
[M+Na-2H]- 301.10287 158.7
[M]+ 280.12765 159.7
[M]- 280.12875 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

No patent data available for this compound.