CID 21886155

1970977-56-0

Structural Information

Molecular Formula
C14H18BF3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(C(F)(F)F)O
InChI
InChI=1S/C14H18BF3O3/c1-12(2)13(3,4)21-15(20-12)10-7-5-6-9(8-10)11(19)14(16,17)18/h5-8,11,19H,1-4H3
InChIKey
CDSZJUQQHUHGLH-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

302.1301 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13738 161.5
[M+Na]+ 325.11932 170.5
[M-H]- 301.12282 165.1
[M+NH4]+ 320.16392 179.6
[M+K]+ 341.09326 170.0
[M+H-H2O]+ 285.12736 155.6
[M+HCOO]- 347.12830 175.2
[M+CH3COO]- 361.14395 200.4
[M+Na-2H]- 323.10477 165.2
[M]+ 302.12955 160.1
[M]- 302.13065 160.1
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