CID 12035765

[2-(prop-2-en-1-yloxy)phenyl]boronic acid

Structural Information

Molecular Formula
C9H11BO3
SMILES
B(C1=CC=CC=C1OCC=C)(O)O
InChI
InChI=1S/C9H11BO3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h2-6,11-12H,1,7H2
InChIKey
IUALPRJAXOAGOF-UHFFFAOYSA-N
Compound name
(2-prop-2-enoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

178.08012 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08740 135.9
[M+Na]+ 201.06934 143.0
[M-H]- 177.07284 136.9
[M+NH4]+ 196.11394 154.7
[M+K]+ 217.04328 140.6
[M+H-H2O]+ 161.07738 130.6
[M+HCOO]- 223.07832 157.1
[M+CH3COO]- 237.09397 175.7
[M+Na-2H]- 199.05479 140.9
[M]+ 178.07957 135.8
[M]- 178.08067 135.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe