CID 16217910

870778-99-7

Structural Information

Molecular Formula
C13H10BClF2O3
SMILES
B(C1=C(C=CC(=C1F)OCC2=CC=CC=C2Cl)F)(O)O
InChI
InChI=1S/C13H10BClF2O3/c15-9-4-2-1-3-8(9)7-20-11-6-5-10(16)12(13(11)17)14(18)19/h1-6,18-19H,7H2
InChIKey
VJXYERSPXBFRTA-UHFFFAOYSA-N
Compound name
[3-[(2-chlorophenyl)methoxy]-2,6-difluorophenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

298.03796 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.04524 161.7
[M+Na]+ 321.02718 174.6
[M+NH4]+ 316.07178 168.2
[M+K]+ 337.00112 168.2
[M-H]- 297.03068 162.0
[M+Na-2H]- 319.01263 167.9
[M]+ 298.03741 163.8
[M]- 298.03851 163.8
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