CID 59535276

1220219-14-6

Structural Information

Molecular Formula
C14H15BF3NO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(F)(F)F)C#N
InChI
InChI=1S/C14H15BF3NO2/c1-12(2)13(3,4)21-15(20-12)10-5-6-11(14(16,17)18)9(7-10)8-19/h5-7H,1-4H3
InChIKey
IUORZQUIVDCXJO-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

297.1148 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12208 165.4
[M+Na]+ 320.10402 175.1
[M+NH4]+ 315.14862 169.7
[M+K]+ 336.07796 165.4
[M-H]- 296.10752 158.3
[M+Na-2H]- 318.08947 167.9
[M]+ 297.11425 164.3
[M]- 297.11535 164.3
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