CID 2763243

(3-fluoro-5-methoxyphenyl)boronic acid

Structural Information

Molecular Formula
C7H8BFO3
SMILES
B(C1=CC(=CC(=C1)F)OC)(O)O
InChI
InChI=1S/C7H8BFO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4,10-11H,1H3
InChIKey
MQFKLCWETPKBCH-UHFFFAOYSA-N
Compound name
(3-fluoro-5-methoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

402
Patents

170.05505 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.062326 129.9
[M+Na]+ 193.044268 138.5
[M-H]- 169.047774 130.2
[M+NH4]+ 188.088873 149.3
[M+K]+ 209.018208 136.8
[M+H-H2O]+ 153.052310 124.1
[M+HCOO]- 215.053251 150.5
[M+CH3COO]- 229.068901 174.4
[M+Na-2H]- 191.029716 134.6
[M]+ 170.05450142 128.9
[M]- 170.05559858 128.9
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