CID 22445545

1313738-12-3

Structural Information

Molecular Formula
C8H10BFO3
SMILES
B(C1=CC(=C(C=C1)COC)F)(O)O
InChI
InChI=1S/C8H10BFO3/c1-13-5-6-2-3-7(9(11)12)4-8(6)10/h2-4,11-12H,5H2,1H3
InChIKey
PSLUSKRGWJLDQM-UHFFFAOYSA-N
Compound name
[3-fluoro-4-(methoxymethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

184.07071 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.077986 134.6
[M+Na]+ 207.059928 142.7
[M-H]- 183.063434 134.7
[M+NH4]+ 202.104533 153.5
[M+K]+ 223.033868 140.8
[M+H-H2O]+ 167.067970 128.6
[M+HCOO]- 229.068911 154.9
[M+CH3COO]- 243.084561 177.4
[M+Na-2H]- 205.045376 138.8
[M]+ 184.07016142 134.0
[M]- 184.07125858 134.0
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