CID 21183168

913836-14-3

Structural Information

Molecular Formula
C7H8BClO2
SMILES
B(C1=CC(=CC(=C1)Cl)C)(O)O
InChI
InChI=1S/C7H8BClO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,10-11H,1H3
InChIKey
QXHLBINWDJITMJ-UHFFFAOYSA-N
Compound name
(3-chloro-5-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

188
Patents

170.0306 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.037876 129.3
[M+Na]+ 193.019818 138.8
[M-H]- 169.023324 130.9
[M+NH4]+ 188.064423 149.8
[M+K]+ 208.993758 135.0
[M+H-H2O]+ 153.027860 125.8
[M+HCOO]- 215.028801 146.3
[M+CH3COO]- 229.044451 173.5
[M+Na-2H]- 191.005266 134.3
[M]+ 170.03005142 130.1
[M]- 170.03114858 130.1
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