CID 119031020

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

Structural Information

Molecular Formula
C9H18BIO2
SMILES
B1(OC(C(O1)(C)C)(C)C)CCCI
InChI
InChI=1S/C9H18BIO2/c1-8(2)9(3,4)13-10(12-8)6-5-7-11/h5-7H2,1-4H3
InChIKey
WETXOGCWOHSZTA-UHFFFAOYSA-N
Compound name
2-(3-iodopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.04446 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.05174 147.7
[M+Na]+ 319.03368 149.2
[M-H]- 295.03718 145.9
[M+NH4]+ 314.07828 166.1
[M+K]+ 335.00762 156.1
[M+H-H2O]+ 279.04172 141.3
[M+HCOO]- 341.04266 163.2
[M+CH3COO]- 355.05831 191.5
[M+Na-2H]- 317.01913 142.2
[M]+ 296.04391 148.7
[M]- 296.04501 148.7
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