CID 20777176

(4-(difluoromethyl)phenyl)boronic acid

Structural Information

Molecular Formula
C7H7BF2O2
SMILES
B(C1=CC=C(C=C1)C(F)F)(O)O
InChI
InChI=1S/C7H7BF2O2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,7,11-12H
InChIKey
BKHBDGFRIWAUKK-UHFFFAOYSA-N
Compound name
[4-(difluoromethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

200
Patents

172.05072 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05800 130.2
[M+Na]+ 195.03994 137.7
[M-H]- 171.04344 128.8
[M+NH4]+ 190.08454 149.1
[M+K]+ 211.01388 135.4
[M+H-H2O]+ 155.04798 123.5
[M+HCOO]- 217.04892 148.5
[M+CH3COO]- 231.06457 174.8
[M+Na-2H]- 193.02539 133.8
[M]+ 172.05017 125.6
[M]- 172.05127 125.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe