CID 12158590

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

Structural Information

Molecular Formula
C12H16BIO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2I
InChI
InChI=1S/C12H16BIO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8H,1-4H3
InChIKey
HSQZIRZPACYGJJ-UHFFFAOYSA-N
Compound name
2-(2-iodophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

330.0288 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.03608 153.5
[M+Na]+ 353.01802 156.1
[M-H]- 329.02152 155.0
[M+NH4]+ 348.06262 170.5
[M+K]+ 368.99196 161.9
[M+H-H2O]+ 313.02606 145.7
[M+HCOO]- 375.02700 169.6
[M+CH3COO]- 389.04265 196.8
[M+Na-2H]- 351.00347 147.8
[M]+ 330.02825 153.5
[M]- 330.02935 153.5
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

patents stripe