CID 133638669

(2,4-dichloro-3-methylphenyl)boronic acid

Structural Information

Molecular Formula
C7H7BCl2O2
SMILES
B(C1=C(C(=C(C=C1)Cl)C)Cl)(O)O
InChI
InChI=1S/C7H7BCl2O2/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3,11-12H,1H3
InChIKey
SCLKEXBSNMGZCB-UHFFFAOYSA-N
Compound name
(2,4-dichloro-3-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.99161 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.99889 135.7
[M+Na]+ 226.98083 149.9
[M+NH4]+ 222.02543 144.4
[M+K]+ 242.95477 143.7
[M-H]- 202.98433 136.9
[M+Na-2H]- 224.96628 141.8
[M]+ 203.99106 138.6
[M]- 203.99216 138.6
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.