CID 137944553

2-[(1z)-2-(2-chlorophenyl)prop-1-en-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H20BClO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C(/C)\C2=CC=CC=C2Cl
InChI
InChI=1S/C15H20BClO2/c1-11(12-8-6-7-9-13(12)17)10-16-18-14(2,3)15(4,5)19-16/h6-10H,1-5H3/b11-10-
InChIKey
YUVAXHVXLQGLBS-KHPPLWFESA-N
Compound name
2-[(Z)-2-(2-chlorophenyl)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.12448 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13176 159.6
[M+Na]+ 301.11370 169.1
[M-H]- 277.11720 168.0
[M+NH4]+ 296.15830 180.3
[M+K]+ 317.08764 166.8
[M+H-H2O]+ 261.12174 156.0
[M+HCOO]- 323.12268 174.6
[M+CH3COO]- 337.13833 198.0
[M+Na-2H]- 299.09915 163.1
[M]+ 278.12393 163.9
[M]- 278.12503 163.9
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

No patent data available for this compound.