CID 53216311

1214900-52-3

Structural Information

Molecular Formula
C6H6BClO3
SMILES
B(C1=CC(=CC(=C1)Cl)O)(O)O
InChI
InChI=1S/C6H6BClO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9-11H
InChIKey
BNQINYYEZBLUKO-UHFFFAOYSA-N
Compound name
(3-chloro-5-hydroxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

172.00986 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.01714 129.1
[M+Na]+ 194.99908 141.7
[M+NH4]+ 190.04368 137.0
[M+K]+ 210.97302 137.0
[M-H]- 171.00258 129.4
[M+Na-2H]- 192.98453 134.6
[M]+ 172.00931 131.1
[M]- 172.01041 131.1
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