CID 16217690

849062-39-1

Structural Information

Molecular Formula
C13H11BClFO3
SMILES
B(C1=CC(=C(C=C1)OCC2=CC=C(C=C2)F)Cl)(O)O
InChI
InChI=1S/C13H11BClFO3/c15-12-7-10(14(17)18)3-6-13(12)19-8-9-1-4-11(16)5-2-9/h1-7,17-18H,8H2
InChIKey
GLLLLVYDIZNTKE-UHFFFAOYSA-N
Compound name
[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

280.0474 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.054676 155.6
[M+Na]+ 303.036618 164.7
[M-H]- 279.040124 158.9
[M+NH4]+ 298.081223 171.4
[M+K]+ 319.010558 159.2
[M+H-H2O]+ 263.044660 149.0
[M+HCOO]- 325.045601 171.2
[M+CH3COO]- 339.061251 193.3
[M+Na-2H]- 301.022066 158.8
[M]+ 280.04685142 157.1
[M]- 280.04794858 157.1
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