CID 53216720

3-chloro-4,5-difluorophenylboronic acid

Structural Information

Molecular Formula
C6H4BClF2O2
SMILES
B(C1=CC(=C(C(=C1)Cl)F)F)(O)O
InChI
InChI=1S/C6H4BClF2O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H
InChIKey
SKVAJRYSVMMITI-UHFFFAOYSA-N
Compound name
(3-chloro-4,5-difluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

191.9961 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.00338 128.3
[M+Na]+ 214.98532 139.1
[M-H]- 190.98882 127.6
[M+NH4]+ 210.02992 148.0
[M+K]+ 230.95926 134.7
[M+H-H2O]+ 174.99336 123.2
[M+HCOO]- 236.99430 143.5
[M+CH3COO]- 251.00995 177.2
[M+Na-2H]- 212.97077 132.1
[M]+ 191.99555 126.8
[M]- 191.99665 126.8
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