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

9
Patents

238.11765 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.124926 151.1
[M+Na]+ 261.106868 155.7
[M-H]- 237.110374 153.1
[M+NH4]+ 256.151473 167.0
[M+K]+ 277.080808 152.8
[M+H-H2O]+ 221.114910 143.6
[M+HCOO]- 283.115851 167.1
[M+CH3COO]- 297.131501 186.3
[M+Na-2H]- 259.092316 152.8
[M]+ 238.11710142 145.2
[M]- 238.11819858 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