CID 59606705

1154740-86-9

Structural Information

Molecular Formula
C14H16BClO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C3=C(C=C2)C=CO3)Cl
InChI
InChI=1S/C14H16BClO3/c1-13(2)14(3,4)19-15(18-13)10-6-5-9-7-8-17-12(9)11(10)16/h5-8H,1-4H3
InChIKey
WWIDGPAIPCKOMP-UHFFFAOYSA-N
Compound name
2-(7-chloro-1-benzofuran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

278.0881 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09538 156.5
[M+Na]+ 301.07732 169.6
[M-H]- 277.08082 167.5
[M+NH4]+ 296.12192 178.9
[M+K]+ 317.05126 168.3
[M+H-H2O]+ 261.08536 154.0
[M+HCOO]- 323.08630 173.7
[M+CH3COO]- 337.10195 171.8
[M+Na-2H]- 299.06277 162.5
[M]+ 278.08755 165.3
[M]- 278.08865 165.3
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