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

9
Patents

298.03796 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.04524 157.8
[M+Na]+ 321.02718 167.8
[M-H]- 297.03068 160.0
[M+NH4]+ 316.07178 173.0
[M+K]+ 337.00112 161.9
[M+H-H2O]+ 281.03522 150.3
[M+HCOO]- 343.03616 172.3
[M+CH3COO]- 357.05181 197.2
[M+Na-2H]- 319.01263 159.7
[M]+ 298.03741 158.6
[M]- 298.03851 158.6
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