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]+ 204.998886 133.5
[M+Na]+ 226.980828 144.2
[M-H]- 202.984334 134.9
[M+NH4]+ 222.025433 153.4
[M+K]+ 242.954768 139.0
[M+H-H2O]+ 186.988870 131.2
[M+HCOO]- 248.989811 145.5
[M+CH3COO]- 263.005461 179.6
[M+Na-2H]- 224.966276 137.3
[M]+ 203.99106142 135.8
[M]- 203.99215858 135.8
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.