CID 132505959

2066512-27-2

Structural Information

Molecular Formula
C7H13BI2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C(I)I
InChI
InChI=1S/C7H13BI2O2/c1-6(2)7(3,4)12-8(11-6)5(9)10/h5H,1-4H3
InChIKey
JYEMEPSGEGEKBT-UHFFFAOYSA-N
Compound name
2-(diiodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

393.90982 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.91710 144.7
[M+Na]+ 416.89904 139.0
[M-H]- 392.90254 138.1
[M+NH4]+ 411.94364 156.7
[M+K]+ 432.87298 151.8
[M+H-H2O]+ 376.90708 136.1
[M+HCOO]- 438.90802 153.8
[M+CH3COO]- 452.92367 203.7
[M+Na-2H]- 414.88449 133.1
[M]+ 393.90927 142.1
[M]- 393.91037 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe