CID 2735751

5-chloro-2-methoxyphenylboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1451
Patents

186.0255 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.03278 132.0
[M+Na]+ 209.01472 141.4
[M-H]- 185.01822 133.7
[M+NH4]+ 204.05932 151.9
[M+K]+ 224.98866 138.2
[M+H-H2O]+ 169.02276 128.3
[M+HCOO]- 231.02370 149.3
[M+CH3COO]- 245.03935 175.6
[M+Na-2H]- 207.00017 137.1
[M]+ 186.02495 134.3
[M]- 186.02605 134.3
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