CID 57950637

1105710-32-4

Structural Information

Molecular Formula
C13H16BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC(=O)O3
InChI
InChI=1S/C13H16BNO4/c1-12(2)13(3,4)19-14(18-12)8-5-6-9-10(7-8)17-11(16)15-9/h5-7H,1-4H3,(H,15,16)
InChIKey
RVSGJKHNWXFXCD-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

261.11725 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12453 150.7
[M+Na]+ 284.10647 163.3
[M-H]- 260.10997 159.5
[M+NH4]+ 279.15107 170.9
[M+K]+ 300.08041 163.1
[M+H-H2O]+ 244.11451 147.1
[M+HCOO]- 306.11545 170.5
[M+CH3COO]- 320.13110 165.6
[M+Na-2H]- 282.09192 157.3
[M]+ 261.11670 156.9
[M]- 261.11780 156.9
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