CID 75486530

3,4-difluoro-2-formylphenylboronic acid pinacol ester

Structural Information

Molecular Formula
C13H15BF2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C=C2)F)F)C=O
InChI
InChI=1S/C13H15BF2O3/c1-12(2)13(3,4)19-14(18-12)9-5-6-10(15)11(16)8(9)7-17/h5-7H,1-4H3
InChIKey
UCCWPBWUTGMKPR-UHFFFAOYSA-N
Compound name
2,3-difluoro-6-(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

268.10825 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.115526 149.9
[M+Na]+ 291.097468 161.6
[M-H]- 267.100974 156.8
[M+NH4]+ 286.142073 170.6
[M+K]+ 307.071408 161.0
[M+H-H2O]+ 251.105510 144.5
[M+HCOO]- 313.106451 169.2
[M+CH3COO]- 327.122101 198.1
[M+Na-2H]- 289.082916 154.1
[M]+ 268.10770142 152.4
[M]- 268.10879858 152.4
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.