CID 66847759

3-(prop-1-ynyl)phenylboronic acid

Structural Information

Molecular Formula
C9H9BO2
SMILES
B(C1=CC(=CC=C1)C#CC)(O)O
InChI
InChI=1S/C9H9BO2/c1-2-4-8-5-3-6-9(7-8)10(11)12/h3,5-7,11-12H,1H3
InChIKey
IYTRBBPLPNGLBT-UHFFFAOYSA-N
Compound name
(3-prop-1-ynylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

160.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07684 133.0
[M+Na]+ 183.05878 144.7
[M+NH4]+ 178.10338 137.5
[M+K]+ 199.03272 136.4
[M-H]- 159.06228 126.1
[M+Na-2H]- 181.04423 136.0
[M]+ 160.06901 131.8
[M]- 160.07011 131.8
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