CID 72220276

2-(4-chloro-3-cyclopropoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H20BClO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)Cl)OC3CC3
InChI
InChI=1S/C15H20BClO3/c1-14(2)15(3,4)20-16(19-14)10-5-8-12(17)13(9-10)18-11-6-7-11/h5,8-9,11H,6-7H2,1-4H3
InChIKey
MKMTZEUFVICEDW-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-cyclopropyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

294.11942 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12670 158.1
[M+Na]+ 317.10864 169.4
[M-H]- 293.11214 170.3
[M+NH4]+ 312.15324 173.3
[M+K]+ 333.08258 168.9
[M+H-H2O]+ 277.11668 154.1
[M+HCOO]- 339.11762 173.4
[M+CH3COO]- 353.13327 202.8
[M+Na-2H]- 315.09409 162.7
[M]+ 294.11887 166.9
[M]- 294.11997 166.9
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