CID 56776723

1112209-24-1

Structural Information

Molecular Formula
C13H16BFO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)F)C=O
InChI
InChI=1S/C13H16BFO3/c1-12(2)13(3,4)18-14(17-12)10-5-9(8-16)6-11(15)7-10/h5-8H,1-4H3
InChIKey
WENPYTYJEVDZDV-UHFFFAOYSA-N
Compound name
3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

250.11765 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12493 147.7
[M+Na]+ 273.10687 158.5
[M-H]- 249.11037 155.7
[M+NH4]+ 268.15147 169.0
[M+K]+ 289.08081 158.3
[M+H-H2O]+ 233.11491 143.0
[M+HCOO]- 295.11585 168.2
[M+CH3COO]- 309.13150 194.1
[M+Na-2H]- 271.09232 153.2
[M]+ 250.11710 151.0
[M]- 250.11820 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