CID 70700649

2-(5-(methoxy)-2-iodophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H18BIO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)OC)I
InChI
InChI=1S/C13H18BIO3/c1-12(2)13(3,4)18-14(17-12)10-8-9(16-5)6-7-11(10)15/h6-8H,1-5H3
InChIKey
WNIUBTIVQXWKEO-UHFFFAOYSA-N
Compound name
2-(2-iodo-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

360.03937 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.04665 161.1
[M+Na]+ 383.02859 164.0
[M-H]- 359.03209 162.7
[M+NH4]+ 378.07319 177.1
[M+K]+ 399.00253 170.1
[M+H-H2O]+ 343.03663 153.2
[M+HCOO]- 405.03757 177.0
[M+CH3COO]- 419.05322 202.7
[M+Na-2H]- 381.01404 154.4
[M]+ 360.03882 163.1
[M]- 360.03992 163.1
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.