CID 6435611

2-butenylene 1,4-bis(iodoacetate)

Structural Information

Molecular Formula
C8H10I2O4
SMILES
C/C=C(/COC(=O)CI)\OC(=O)CI
InChI
InChI=1S/C8H10I2O4/c1-2-6(14-8(12)4-10)5-13-7(11)3-9/h2H,3-5H2,1H3/b6-2-
InChIKey
JIIWTNVHZQZQLX-KXFIGUGUSA-N
Compound name
[(Z)-2-(2-iodoacetyl)oxybut-2-enyl] 2-iodoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.86685 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.87413 158.6
[M+Na]+ 446.85607 150.6
[M-H]- 422.85957 147.8
[M+NH4]+ 441.90067 166.5
[M+K]+ 462.83001 162.0
[M+H-H2O]+ 406.86411 147.5
[M+HCOO]- 468.86505 168.6
[M+CH3COO]- 482.88070 206.7
[M+Na-2H]- 444.84152 142.6
[M]+ 423.86630 157.0
[M]- 423.86740 157.0
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

No patent data available for this compound.