CID 44717686

850033-39-5

Structural Information

Molecular Formula
C8H8BF3O3
SMILES
B(C1=C(C=C(C=C1)OC(F)(F)F)C)(O)O
InChI
InChI=1S/C8H8BF3O3/c1-5-4-6(15-8(10,11)12)2-3-7(5)9(13)14/h2-4,13-14H,1H3
InChIKey
VZNGQLGNHIYWOD-UHFFFAOYSA-N
Compound name
[2-methyl-4-(trifluoromethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

220.05186 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05914 148.1
[M+Na]+ 243.04108 156.1
[M+NH4]+ 238.08568 152.6
[M+K]+ 259.01502 152.8
[M-H]- 219.04458 143.5
[M+Na-2H]- 241.02653 150.5
[M]+ 220.05131 147.6
[M]- 220.05241 147.6
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