CID 44668373

374715-22-7

Structural Information

Molecular Formula
C15H18BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NO2)C3=CC=CC=C3
InChI
InChI=1S/C15H18BNO3/c1-14(2)15(3,4)20-16(19-14)13-10-12(17-18-13)11-8-6-5-7-9-11/h5-10H,1-4H3
InChIKey
ZFUDBXAMQSUYAQ-UHFFFAOYSA-N
Compound name
3-phenyl-5-(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

21
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

No literature data available for this compound.

Patent stripe

patents stripe