CID 55262360

(2,4-difluoro-5-methylphenyl)boronic acid

Structural Information

Molecular Formula
C7H7BF2O2
SMILES
B(C1=CC(=C(C=C1F)F)C)(O)O
InChI
InChI=1S/C7H7BF2O2/c1-4-2-5(8(11)12)7(10)3-6(4)9/h2-3,11-12H,1H3
InChIKey
MIRDEWLPPDFBPE-UHFFFAOYSA-N
Compound name
(2,4-difluoro-5-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

172.05072 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05800 134.6
[M+Na]+ 195.03994 145.2
[M+NH4]+ 190.08454 141.1
[M+K]+ 211.01388 140.6
[M-H]- 171.04344 132.7
[M+Na-2H]- 193.02539 138.7
[M]+ 172.05017 135.3
[M]- 172.05127 135.3
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

patents stripe