CID 66691487

(4-chloro-2-(hydroxymethyl)phenyl)boronic acid

Structural Information

Molecular Formula
C7H8BClO3
SMILES
B(C1=C(C=C(C=C1)Cl)CO)(O)O
InChI
InChI=1S/C7H8BClO3/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-3,10-12H,4H2
InChIKey
SPGPJDKIBHDACA-UHFFFAOYSA-N
Compound name
[4-chloro-2-(hydroxymethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

186.0255 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.032776 132.7
[M+Na]+ 209.014718 141.6
[M-H]- 185.018224 132.9
[M+NH4]+ 204.059323 151.7
[M+K]+ 224.988658 137.5
[M+H-H2O]+ 169.022760 129.2
[M+HCOO]- 231.023701 148.4
[M+CH3COO]- 245.039351 173.1
[M+Na-2H]- 207.000166 137.2
[M]+ 186.02495142 133.1
[M]- 186.02604858 133.1
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