CID 97878

1,4-diiodo-2,3-dimethoxybutane

Structural Information

Molecular Formula
C6H12I2O2
SMILES
COC(CI)C(CI)OC
InChI
InChI=1S/C6H12I2O2/c1-9-5(3-7)6(4-8)10-2/h5-6H,3-4H2,1-2H3
InChIKey
XKAANJFSVANRGV-UHFFFAOYSA-N
Compound name
1,4-diiodo-2,3-dimethoxybutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

369.89267 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.899946 148.1
[M+Na]+ 392.881888 140.2
[M-H]- 368.885394 137.4
[M+NH4]+ 387.926493 158.0
[M+K]+ 408.855828 152.3
[M+H-H2O]+ 352.889930 137.4
[M+HCOO]- 414.890871 158.7
[M+CH3COO]- 428.906521 202.0
[M+Na-2H]- 390.867336 133.9
[M]+ 369.89212142 146.1
[M]- 369.89321858 146.1
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

patents stripe