CID 75485983

1887240-36-9

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 139.1
[M+Na]+ 280.95257 150.4
[M-H]- 256.95607 136.7
[M+NH4]+ 275.99717 156.7
[M+K]+ 296.92651 144.3
[M+H-H2O]+ 240.96061 134.3
[M+HCOO]- 302.96155 146.5
[M+CH3COO]- 316.97720 187.4
[M+Na-2H]- 278.93802 142.0
[M]+ 257.96280 137.6
[M]- 257.96390 137.6
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