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

20
Patents

280.0474 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05468 155.6
[M+Na]+ 303.03662 164.7
[M-H]- 279.04012 158.9
[M+NH4]+ 298.08122 171.4
[M+K]+ 319.01056 159.2
[M+H-H2O]+ 263.04466 149.0
[M+HCOO]- 325.04560 171.2
[M+CH3COO]- 339.06125 193.3
[M+Na-2H]- 301.02207 158.8
[M]+ 280.04685 157.1
[M]- 280.04795 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