CID 155905903

(2-chloro-3-fluoro-6-methylphenyl)boronic acid

Structural Information

Molecular Formula
C7H7BClFO2
SMILES
B(C1=C(C=CC(=C1Cl)F)C)(O)O
InChI
InChI=1S/C7H7BClFO2/c1-4-2-3-5(10)7(9)6(4)8(11)12/h2-3,11-12H,1H3
InChIKey
IDFAHLDZRLQXIH-UHFFFAOYSA-N
Compound name
(2-chloro-3-fluoro-6-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.02116 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02844 130.8
[M+Na]+ 211.01038 141.2
[M-H]- 187.01388 131.4
[M+NH4]+ 206.05498 150.8
[M+K]+ 226.98432 137.0
[M+H-H2O]+ 171.01842 126.6
[M+HCOO]- 233.01936 146.7
[M+CH3COO]- 247.03501 177.4
[M+Na-2H]- 208.99583 134.6
[M]+ 188.02061 130.9
[M]- 188.02171 130.9
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.