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

2
Patents

219.98653 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.99381 136.0
[M+Na]+ 242.97575 146.6
[M-H]- 218.97925 137.4
[M+NH4]+ 238.02035 155.1
[M+K]+ 258.94969 142.0
[M+H-H2O]+ 202.98379 133.4
[M+HCOO]- 264.98473 148.2
[M+CH3COO]- 279.00038 181.6
[M+Na-2H]- 240.96120 139.8
[M]+ 219.98598 139.7
[M]- 219.98708 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