CID 2734706

59016-93-2

Structural Information

Molecular Formula
C7H9BO3
SMILES
B(C1=CC=C(C=C1)CO)(O)O
InChI
InChI=1S/C7H9BO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9-11H,5H2
InChIKey
PZRPBPMLSSNFOM-UHFFFAOYSA-N
Compound name
[4-(hydroxymethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3622
Patents

152.06447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.07175 129.2
[M+Na]+ 175.05369 140.4
[M+NH4]+ 170.09829 136.7
[M+K]+ 191.02763 136.1
[M-H]- 151.05719 129.4
[M+Na-2H]- 173.03914 134.5
[M]+ 152.06392 130.6
[M]- 152.06502 130.6
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