CID 71302552

1333319-63-3

Structural Information

Molecular Formula
C12H15BFNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)F)C=O
InChI
InChI=1S/C12H15BFNO3/c1-11(2)12(3,4)18-13(17-11)9-5-8(7-16)10(14)15-6-9/h5-7H,1-4H3
InChIKey
QZRHFEMIYPGGIS-UHFFFAOYSA-N
Compound name
2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

251.1129 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12018 147.6
[M+Na]+ 274.10212 158.8
[M-H]- 250.10562 154.2
[M+NH4]+ 269.14672 167.4
[M+K]+ 290.07606 158.7
[M+H-H2O]+ 234.11016 141.8
[M+HCOO]- 296.11110 167.1
[M+CH3COO]- 310.12675 193.7
[M+Na-2H]- 272.08757 153.2
[M]+ 251.11235 151.0
[M]- 251.11345 151.0
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