CID 154733999

2-(4,5-dichloro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H17BCl2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2C)Cl)Cl
InChI
InChI=1S/C13H17BCl2O2/c1-8-6-10(15)11(16)7-9(8)14-17-12(2,3)13(4,5)18-14/h6-7H,1-5H3
InChIKey
SKCLCEGPBIZTIY-UHFFFAOYSA-N
Compound name
2-(4,5-dichloro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.06985 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.07713 155.5
[M+Na]+ 309.05907 167.7
[M-H]- 285.06257 164.0
[M+NH4]+ 304.10367 176.8
[M+K]+ 325.03301 164.5
[M+H-H2O]+ 269.06711 153.0
[M+HCOO]- 331.06805 166.8
[M+CH3COO]- 345.08370 199.5
[M+Na-2H]- 307.04452 159.3
[M]+ 286.06930 162.1
[M]- 286.07040 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.