CID 129963944

1383576-04-2

Structural Information

Molecular Formula
C8H8BF3O2
SMILES
B(C1=C(C(=CC=C1)C)C(F)(F)F)(O)O
InChI
InChI=1S/C8H8BF3O2/c1-5-3-2-4-6(9(13)14)7(5)8(10,11)12/h2-4,13-14H,1H3
InChIKey
SILUDOBLZPUYIW-UHFFFAOYSA-N
Compound name
[3-methyl-2-(trifluoromethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

204.05695 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06423 145.4
[M+Na]+ 227.04617 153.9
[M+NH4]+ 222.09077 150.4
[M+K]+ 243.02011 150.0
[M-H]- 203.04967 141.3
[M+Na-2H]- 225.03162 148.2
[M]+ 204.05640 145.1
[M]- 204.05750 145.1
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