CID 156800413

(4-(2-(trifluoromethyl)oxetan-2-yl)phenyl)boronic acid

Structural Information

Molecular Formula
C10H10BF3O3
SMILES
B(C1=CC=C(C=C1)C2(CCO2)C(F)(F)F)(O)O
InChI
InChI=1S/C10H10BF3O3/c12-10(13,14)9(5-6-17-9)7-1-3-8(4-2-7)11(15)16/h1-4,15-16H,5-6H2
InChIKey
AKUJOKBJUHPKJJ-UHFFFAOYSA-N
Compound name
[4-[2-(trifluoromethyl)oxetan-2-yl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

246.0675 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07478 148.8
[M+Na]+ 269.05672 155.0
[M-H]- 245.06022 149.9
[M+NH4]+ 264.10132 158.9
[M+K]+ 285.03066 156.4
[M+H-H2O]+ 229.06476 136.6
[M+HCOO]- 291.06570 162.2
[M+CH3COO]- 305.08135 188.6
[M+Na-2H]- 267.04217 153.8
[M]+ 246.06695 152.5
[M]- 246.06805 152.5
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