CID 155973843

1-(3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethan-1-one

Structural Information

Molecular Formula
C14H18BClO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C(=O)C)Cl
InChI
InChI=1S/C14H18BClO3/c1-9(17)10-6-7-11(12(16)8-10)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3
InChIKey
VCQAZRJMOMBQDO-UHFFFAOYSA-N
Compound name
1-[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.10376 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11104 157.4
[M+Na]+ 303.09298 170.9
[M+NH4]+ 298.13758 168.4
[M+K]+ 319.06692 163.5
[M-H]- 279.09648 163.0
[M+Na-2H]- 301.07843 165.2
[M]+ 280.10321 161.7
[M]- 280.10431 161.7
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.