CID 18469433

Schembl3031530

Structural Information

Molecular Formula
C14H13BF2O2
SMILES
B(C1=C(C(=C(C=C1)C2=CC=C(C=C2)CC)F)F)(O)O
InChI
InChI=1S/C14H13BF2O2/c1-2-9-3-5-10(6-4-9)11-7-8-12(15(18)19)14(17)13(11)16/h3-8,18-19H,2H2,1H3
InChIKey
IFMZMCSDHKRHFW-UHFFFAOYSA-N
Compound name
[4-(4-ethylphenyl)-2,3-difluorophenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

262.09766 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10494 154.9
[M+Na]+ 285.08688 163.8
[M-H]- 261.09038 157.1
[M+NH4]+ 280.13148 170.8
[M+K]+ 301.06082 158.8
[M+H-H2O]+ 245.09492 146.7
[M+HCOO]- 307.09586 173.3
[M+CH3COO]- 321.11151 194.4
[M+Na-2H]- 283.07233 156.5
[M]+ 262.09711 152.3
[M]- 262.09821 152.3
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.