CID 53217349

1029439-76-6

Structural Information

Molecular Formula
C13H16BF3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)O)C(F)(F)F
InChI
InChI=1S/C13H16BF3O3/c1-11(2)12(3,4)20-14(19-11)10-6-5-8(18)7-9(10)13(15,16)17/h5-7,18H,1-4H3
InChIKey
BDBDHVQVHJGEJL-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

288.11447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12175 167.9
[M+Na]+ 311.10369 176.5
[M+NH4]+ 306.14829 175.1
[M+K]+ 327.07763 170.8
[M-H]- 287.10719 167.5
[M+Na-2H]- 309.08914 172.0
[M]+ 288.11392 169.1
[M]- 288.11502 169.1
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