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

1
Patents

369.89267 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.89995 148.1
[M+Na]+ 392.88189 140.2
[M-H]- 368.88539 137.4
[M+NH4]+ 387.92649 158.0
[M+K]+ 408.85583 152.3
[M+H-H2O]+ 352.88993 137.4
[M+HCOO]- 414.89087 158.7
[M+CH3COO]- 428.90652 202.0
[M+Na-2H]- 390.86734 133.9
[M]+ 369.89212 146.1
[M]- 369.89322 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