CID 133639536

(2,6-dichloro-3-fluorophenyl)boronic acid

Structural Information

Molecular Formula
C6H4BCl2FO2
SMILES
B(C1=C(C=CC(=C1Cl)F)Cl)(O)O
InChI
InChI=1S/C6H4BCl2FO2/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2,11-12H
InChIKey
FRXNNOSLJOYIGA-UHFFFAOYSA-N
Compound name
(2,6-dichloro-3-fluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.96654 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.97382 130.5
[M+Na]+ 230.95576 141.7
[M-H]- 206.95926 130.6
[M+NH4]+ 226.00036 150.1
[M+K]+ 246.92970 136.3
[M+H-H2O]+ 190.96380 127.4
[M+HCOO]- 252.96474 141.8
[M+CH3COO]- 266.98039 179.3
[M+Na-2H]- 228.94121 134.3
[M]+ 207.96599 131.4
[M]- 207.96709 131.4
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.