CID 16086087

4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-n-(3-(trifluoromethyl)phenyl)benzamide

Structural Information

Molecular Formula
C21H23BF3NO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C
InChI
InChI=1S/C21H23BF3NO3/c1-13-9-10-14(11-17(13)22-28-19(2,3)20(4,5)29-22)18(27)26-16-8-6-7-15(12-16)21(23,24)25/h6-12H,1-5H3,(H,26,27)
InChIKey
JLJGGQXKHGIAMW-UHFFFAOYSA-N
Compound name
4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

405.1723 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.17958 197.4
[M+Na]+ 428.16152 206.4
[M+NH4]+ 423.20612 203.9
[M+K]+ 444.13546 199.6
[M-H]- 404.16502 199.6
[M+Na-2H]- 426.14697 202.9
[M]+ 405.17175 199.4
[M]- 405.17285 199.4
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