CID 42611280

[2-(prop-1-yn-1-yl)phenyl]boronic acid

Structural Information

Molecular Formula
C9H9BO2
SMILES
B(C1=CC=CC=C1C#CC)(O)O
InChI
InChI=1S/C9H9BO2/c1-2-5-8-6-3-4-7-9(8)10(11)12/h3-4,6-7,11-12H,1H3
InChIKey
CZEHXQUXMYYIRD-UHFFFAOYSA-N
Compound name
(2-prop-1-ynylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

160.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07684 135.5
[M+Na]+ 183.05878 145.3
[M-H]- 159.06228 135.5
[M+NH4]+ 178.10338 153.0
[M+K]+ 199.03272 141.0
[M+H-H2O]+ 143.06682 124.7
[M+HCOO]- 205.06776 150.9
[M+CH3COO]- 219.08341 181.2
[M+Na-2H]- 181.04423 139.5
[M]+ 160.06901 128.7
[M]- 160.07011 128.7
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