CID 59191978

1207961-50-9

Structural Information

Molecular Formula
C7H8BClO3
SMILES
B(C1=C(C=C(C=C1C)Cl)O)(O)O
InChI
InChI=1S/C7H8BClO3/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,10-12H,1H3
InChIKey
CBPRFVJXGNVYLO-UHFFFAOYSA-N
Compound name
(4-chloro-2-hydroxy-6-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

186.0255 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.032776 132.1
[M+Na]+ 209.014718 142.0
[M-H]- 185.018224 132.8
[M+NH4]+ 204.059323 151.5
[M+K]+ 224.988658 137.9
[M+H-H2O]+ 169.022760 128.9
[M+HCOO]- 231.023701 147.8
[M+CH3COO]- 245.039351 174.4
[M+Na-2H]- 207.000166 136.0
[M]+ 186.02495142 132.9
[M]- 186.02604858 132.9
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