CID 43145387

[2-(cyclohexyloxy)-5-fluorophenyl]boronic acid

Structural Information

Molecular Formula
C12H16BFO3
SMILES
B(C1=C(C=CC(=C1)F)OC2CCCCC2)(O)O
InChI
InChI=1S/C12H16BFO3/c14-9-6-7-12(11(8-9)13(15)16)17-10-4-2-1-3-5-10/h6-8,10,15-16H,1-5H2
InChIKey
OHWNPVQRWGSUQV-UHFFFAOYSA-N
Compound name
(2-cyclohexyloxy-5-fluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

238.11765 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12493 151.1
[M+Na]+ 261.10687 155.7
[M-H]- 237.11037 153.1
[M+NH4]+ 256.15147 167.0
[M+K]+ 277.08081 152.8
[M+H-H2O]+ 221.11491 143.6
[M+HCOO]- 283.11585 167.1
[M+CH3COO]- 297.13150 186.3
[M+Na-2H]- 259.09232 152.8
[M]+ 238.11710 145.2
[M]- 238.11820 145.2
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