CID 130046575

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

Structural Information

Molecular Formula
C13H17BCl2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2Cl)Cl)OC
InChI
InChI=1S/C13H17BCl2O3/c1-12(2)13(3,4)19-14(18-12)8-6-11(17-5)10(16)7-9(8)15/h6-7H,1-5H3
InChIKey
WCKMUVOKIDTCMH-UHFFFAOYSA-N
Compound name
2-(2,4-dichloro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0648 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07208 158.1
[M+Na]+ 325.05402 170.2
[M-H]- 301.05752 166.7
[M+NH4]+ 320.09862 178.8
[M+K]+ 341.02796 167.7
[M+H-H2O]+ 285.06206 155.6
[M+HCOO]- 347.06300 169.7
[M+CH3COO]- 361.07865 201.5
[M+Na-2H]- 323.03947 162.1
[M]+ 302.06425 166.3
[M]- 302.06535 166.3
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.