CID 12844161

Ethyl2,2-diiodoacetate

Structural Information

Molecular Formula
C4H6I2O2
SMILES
CCOC(=O)C(I)I
InChI
InChI=1S/C4H6I2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
InChIKey
CJMICXOYEKRPMW-UHFFFAOYSA-N
Compound name
ethyl 2,2-diiodoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

339.84573 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.85301 136.3
[M+Na]+ 362.83495 129.4
[M-H]- 338.83845 125.9
[M+NH4]+ 357.87955 147.2
[M+K]+ 378.80889 141.5
[M+H-H2O]+ 322.84299 126.1
[M+HCOO]- 384.84393 147.7
[M+CH3COO]- 398.85958 196.0
[M+Na-2H]- 360.82040 123.3
[M]+ 339.84518 133.1
[M]- 339.84628 133.1
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