CID 66521237

(4-cyclopropyl-2-fluorophenyl)boronic acid

Structural Information

Molecular Formula
C9H10BFO2
SMILES
B(C1=C(C=C(C=C1)C2CC2)F)(O)O
InChI
InChI=1S/C9H10BFO2/c11-9-5-7(6-1-2-6)3-4-8(9)10(12)13/h3-6,12-13H,1-2H2
InChIKey
HZSYHXSERFSUAI-UHFFFAOYSA-N
Compound name
(4-cyclopropyl-2-fluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.07579 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08307 139.4
[M+Na]+ 203.06501 151.8
[M+NH4]+ 198.10961 147.6
[M+K]+ 219.03895 148.1
[M-H]- 179.06851 147.2
[M+Na-2H]- 201.05046 147.6
[M]+ 180.07524 144.3
[M]- 180.07634 144.3
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

No patent data available for this compound.