CID 11558104

885669-16-9

Structural Information

Molecular Formula
C15H18BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=COC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C15H18BNO3/c1-14(2)15(3,4)20-16(19-14)12-10-18-13(17-12)11-8-6-5-7-9-11/h5-10H,1-4H3
InChIKey
JKBXNZMOGRXHJP-UHFFFAOYSA-N
Compound name
2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

271.13797 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14525 155.7
[M+Na]+ 294.12719 165.7
[M-H]- 270.13069 167.2
[M+NH4]+ 289.17179 174.5
[M+K]+ 310.10113 166.5
[M+H-H2O]+ 254.13523 150.6
[M+HCOO]- 316.13617 176.3
[M+CH3COO]- 330.15182 170.0
[M+Na-2H]- 292.11264 160.6
[M]+ 271.13742 160.4
[M]- 271.13852 160.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe