CID 593436

1,2-bis(2-iodoethoxy)ethane

Structural Information

Molecular Formula
C6H12I2O2
SMILES
C(COCCI)OCCI
InChI
InChI=1S/C6H12I2O2/c7-1-3-9-5-6-10-4-2-8/h1-6H2
InChIKey
BCAGFJXMCZSAHD-UHFFFAOYSA-N
Compound name
1,2-bis(2-iodoethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

747
Patents

369.89267 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.89995 149.8
[M+Na]+ 392.88189 142.2
[M-H]- 368.88539 138.8
[M+NH4]+ 387.92649 159.7
[M+K]+ 408.85583 153.5
[M+H-H2O]+ 352.88993 138.9
[M+HCOO]- 414.89087 161.8
[M+CH3COO]- 428.90652 200.7
[M+Na-2H]- 390.86734 137.3
[M]+ 369.89212 148.7
[M]- 369.89322 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

literature stripe

Patent stripe

patents stripe