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 156.1
[M+Na]+ 303.09298 166.7
[M-H]- 279.09648 165.1
[M+NH4]+ 298.13758 176.9
[M+K]+ 319.06692 165.3
[M+H-H2O]+ 263.10102 153.0
[M+HCOO]- 325.10196 171.7
[M+CH3COO]- 339.11761 199.0
[M+Na-2H]- 301.07843 159.9
[M]+ 280.10321 162.1
[M]- 280.10431 162.1
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.