CID 89751699

1449599-15-8

Structural Information

Molecular Formula
C14H17BFNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C(=C2)F)N=C(O3)C
InChI
InChI=1S/C14H17BFNO3/c1-8-17-12-10(16)6-9(7-11(12)18-8)15-19-13(2,3)14(4,5)20-15/h6-7H,1-5H3
InChIKey
CZMCPWSXFGEFJE-UHFFFAOYSA-N
Compound name
4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

277.12854 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13582 154.5
[M+Na]+ 300.11776 167.9
[M-H]- 276.12126 163.4
[M+NH4]+ 295.16236 175.1
[M+K]+ 316.09170 167.9
[M+H-H2O]+ 260.12580 149.9
[M+HCOO]- 322.12674 174.0
[M+CH3COO]- 336.14239 169.5
[M+Na-2H]- 298.10321 159.7
[M]+ 277.12799 161.4
[M]- 277.12909 161.4
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