CID 23005362

(5-chloro-2-hydroxyphenyl)boronic acid (contains varying amounts of anhydride)

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

338
Patents

172.00986 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.01714 128.0
[M+Na]+ 194.99908 137.4
[M-H]- 171.00258 128.4
[M+NH4]+ 190.04368 147.6
[M+K]+ 210.97302 133.5
[M+H-H2O]+ 155.00712 124.7
[M+HCOO]- 217.00806 144.1
[M+CH3COO]- 231.02371 170.1
[M+Na-2H]- 192.98453 133.1
[M]+ 172.00931 128.0
[M]- 172.01041 128.0
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