CID 90206315

1446716-65-9

Structural Information

Molecular Formula
C8H10BFO2
SMILES
B(C1=C(C=C(C=C1)F)CC)(O)O
InChI
InChI=1S/C8H10BFO2/c1-2-6-5-7(10)3-4-8(6)9(11)12/h3-5,11-12H,2H2,1H3
InChIKey
VEFCZWRFHVRVLY-UHFFFAOYSA-N
Compound name
(2-ethyl-4-fluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

168.07579 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.083066 131.5
[M+Na]+ 191.065008 139.8
[M-H]- 167.068514 131.7
[M+NH4]+ 186.109613 151.1
[M+K]+ 207.038948 137.3
[M+H-H2O]+ 151.073050 125.8
[M+HCOO]- 213.073991 151.6
[M+CH3COO]- 227.089641 175.3
[M+Na-2H]- 189.050456 135.7
[M]+ 168.07524142 129.5
[M]- 168.07633858 129.5
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