CID 104246141

(2-fluoro-4,6-dimethylphenyl)boronic acid

Structural Information

Molecular Formula
C8H10BFO2
SMILES
B(C1=C(C=C(C=C1F)C)C)(O)O
InChI
InChI=1S/C8H10BFO2/c1-5-3-6(2)8(9(11)12)7(10)4-5/h3-4,11-12H,1-2H3
InChIKey
ZZZXOYCAMOTTNS-UHFFFAOYSA-N
Compound name
(2-fluoro-4,6-dimethylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.07579 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.083066 130.8
[M+Na]+ 191.065008 140.0
[M-H]- 167.068514 131.4
[M+NH4]+ 186.109613 150.7
[M+K]+ 207.038948 137.6
[M+H-H2O]+ 151.073050 125.4
[M+HCOO]- 213.073991 150.8
[M+CH3COO]- 227.089641 176.6
[M+Na-2H]- 189.050456 134.3
[M]+ 168.07524142 129.2
[M]- 168.07633858 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

No patent data available for this compound.