CID 125453638

(2-chloro-5-(difluoromethyl)phenyl)boronic acid

Structural Information

Molecular Formula
C7H6BClF2O2
SMILES
B(C1=C(C=CC(=C1)C(F)F)Cl)(O)O
InChI
InChI=1S/C7H6BClF2O2/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,7,12-13H
InChIKey
MUYCGTBRCYZPNN-UHFFFAOYSA-N
Compound name
[2-chloro-5-(difluoromethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.01175 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.01903 133.3
[M+Na]+ 229.00097 142.6
[M-H]- 205.00447 132.2
[M+NH4]+ 224.04557 152.1
[M+K]+ 244.97491 138.4
[M+H-H2O]+ 189.00901 127.9
[M+HCOO]- 251.00995 147.2
[M+CH3COO]- 265.02560 179.9
[M+Na-2H]- 226.98642 136.0
[M]+ 206.01120 131.3
[M]- 206.01230 131.3
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.