CID 56973060

Dtxsid00719882

Structural Information

Molecular Formula
C14H16BF3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)C(F)(F)F
InChI
InChI=1S/C14H16BF3O3/c1-12(2)13(3,4)21-15(20-12)10-7-5-9(6-8-10)11(19)14(16,17)18/h5-8H,1-4H3
InChIKey
PDKVUFXTFXPSGZ-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

300.11447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.121746 159.2
[M+Na]+ 323.103688 169.0
[M-H]- 299.107194 164.2
[M+NH4]+ 318.148293 178.0
[M+K]+ 339.077628 168.7
[M+H-H2O]+ 283.111730 153.1
[M+HCOO]- 345.112671 174.7
[M+CH3COO]- 359.128321 202.0
[M+Na-2H]- 321.089136 163.4
[M]+ 300.11392142 158.9
[M]- 300.11501858 158.9
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