CID 133634220

3,5-dichloro-2-methoxyphenylboronic acid

Structural Information

Molecular Formula
C7H7BCl2O3
SMILES
B(C1=CC(=CC(=C1OC)Cl)Cl)(O)O
InChI
InChI=1S/C7H7BCl2O3/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3,11-12H,1H3
InChIKey
MJRIIYDEDWEQSN-UHFFFAOYSA-N
Compound name
(3,5-dichloro-2-methoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

219.98653 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.993806 136.0
[M+Na]+ 242.975748 146.6
[M-H]- 218.979254 137.4
[M+NH4]+ 238.020353 155.1
[M+K]+ 258.949688 142.0
[M+H-H2O]+ 202.983790 133.4
[M+HCOO]- 264.984731 148.2
[M+CH3COO]- 279.000381 181.6
[M+Na-2H]- 240.961196 139.8
[M]+ 219.98598142 139.7
[M]- 219.98707858 139.7
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