CID 165591253

3-(4-chlorophenyl)-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole

Structural Information

Molecular Formula
C16H19BClNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(ON=C2C3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C16H19BClNO3/c1-10-13(17-21-15(2,3)16(4,5)22-17)14(19-20-10)11-6-8-12(18)9-7-11/h6-9H,1-5H3
InChIKey
FKDVYKNZVDBJGH-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.11465 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12193 167.5
[M+Na]+ 342.10387 179.4
[M-H]- 318.10737 179.2
[M+NH4]+ 337.14847 185.7
[M+K]+ 358.07781 178.2
[M+H-H2O]+ 302.11191 163.0
[M+HCOO]- 364.11285 182.9
[M+CH3COO]- 378.12850 181.4
[M+Na-2H]- 340.08932 170.0
[M]+ 319.11410 175.2
[M]- 319.11520 175.2
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

No patent data available for this compound.