CID 59606763

1154740-54-1

Structural Information

Molecular Formula
C15H20BClO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C3=C(C=C2)OCCC3)Cl
InChI
InChI=1S/C15H20BClO3/c1-14(2)15(3,4)20-16(19-14)11-7-8-12-10(13(11)17)6-5-9-18-12/h7-8H,5-6,9H2,1-4H3
InChIKey
IOEIQEOHBIJQNT-UHFFFAOYSA-N
Compound name
2-(5-chloro-3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

294.11942 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12670 163.7
[M+Na]+ 317.10864 173.6
[M-H]- 293.11214 173.4
[M+NH4]+ 312.15324 183.4
[M+K]+ 333.08258 172.6
[M+H-H2O]+ 277.11668 159.5
[M+HCOO]- 339.11762 175.5
[M+CH3COO]- 353.13327 176.8
[M+Na-2H]- 315.09409 168.8
[M]+ 294.11887 167.8
[M]- 294.11997 167.8
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