CID 75485983

2,6-dichloro-4-(trifluoromethyl)phenylboronic acid

Structural Information

Molecular Formula
C7H4BCl2F3O2
SMILES
B(C1=C(C=C(C=C1Cl)C(F)(F)F)Cl)(O)O
InChI
InChI=1S/C7H4BCl2F3O2/c9-4-1-3(7(11,12)13)2-5(10)6(4)8(14)15/h1-2,14-15H
InChIKey
UWHPSRANHQGNHM-UHFFFAOYSA-N
Compound name
[2,6-dichloro-4-(trifluoromethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

257.96335 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.97063 145.0
[M+Na]+ 280.95257 154.8
[M+NH4]+ 275.99717 150.4
[M+K]+ 296.92651 150.6
[M-H]- 256.95607 140.9
[M+Na-2H]- 278.93802 148.4
[M]+ 257.96280 145.4
[M]- 257.96390 145.4
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

patents stripe