CID 11053090

(3-chloro-2,6-dimethoxyphenyl)boronic acid

Structural Information

Molecular Formula
C8H10BClO4
SMILES
B(C1=C(C=CC(=C1OC)Cl)OC)(O)O
InChI
InChI=1S/C8H10BClO4/c1-13-6-4-3-5(10)8(14-2)7(6)9(11)12/h3-4,11-12H,1-2H3
InChIKey
FYPLJQSOPRYKNL-UHFFFAOYSA-N
Compound name
(3-chloro-2,6-dimethoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.03607 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04335 138.7
[M+Na]+ 239.02529 148.4
[M-H]- 215.02879 140.5
[M+NH4]+ 234.06989 157.5
[M+K]+ 254.99923 145.6
[M+H-H2O]+ 199.03333 134.7
[M+HCOO]- 261.03427 155.8
[M+CH3COO]- 275.04992 182.0
[M+Na-2H]- 237.01074 142.6
[M]+ 216.03552 143.2
[M]- 216.03662 143.2
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

No patent data available for this compound.