CID 53216718

870822-79-0

Structural Information

Molecular Formula
C7H5BClF3O3
SMILES
B(C1=CC(=C(C=C1)OC(F)(F)F)Cl)(O)O
InChI
InChI=1S/C7H5BClF3O3/c9-5-3-4(8(13)14)1-2-6(5)15-7(10,11)12/h1-3,13-14H
InChIKey
LNHZFDNECMPGHG-UHFFFAOYSA-N
Compound name
[3-chloro-4-(trifluoromethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

239.99724 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.00452 145.4
[M+Na]+ 262.98646 154.1
[M+NH4]+ 258.03106 150.2
[M+K]+ 278.96040 150.6
[M-H]- 238.98996 140.8
[M+Na-2H]- 260.97191 148.3
[M]+ 239.99669 145.2
[M]- 239.99779 145.2
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