CID 46738802

4-fluoro-2,5-dimethylphenylboronic acid

Structural Information

Molecular Formula
C8H10BFO2
SMILES
B(C1=CC(=C(C=C1C)F)C)(O)O
InChI
InChI=1S/C8H10BFO2/c1-5-4-8(10)6(2)3-7(5)9(11)12/h3-4,11-12H,1-2H3
InChIKey
VZEWNOKICGAJPJ-UHFFFAOYSA-N
Compound name
(4-fluoro-2,5-dimethylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

168.07579 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08307 130.8
[M+Na]+ 191.06501 140.0
[M-H]- 167.06851 131.4
[M+NH4]+ 186.10961 150.7
[M+K]+ 207.03895 137.6
[M+H-H2O]+ 151.07305 125.4
[M+HCOO]- 213.07399 150.8
[M+CH3COO]- 227.08964 176.6
[M+Na-2H]- 189.05046 134.3
[M]+ 168.07524 129.2
[M]- 168.07634 129.2
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