CID 44118779

3,4-dichloro-2-methylbenzeneboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

203.99161 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.99889 133.5
[M+Na]+ 226.98083 144.2
[M-H]- 202.98433 134.9
[M+NH4]+ 222.02543 153.4
[M+K]+ 242.95477 139.0
[M+H-H2O]+ 186.98887 131.2
[M+HCOO]- 248.98981 145.5
[M+CH3COO]- 263.00546 179.6
[M+Na-2H]- 224.96628 137.3
[M]+ 203.99106 135.8
[M]- 203.99216 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

patents stripe