CID 5240

Iodoacetic acid

Structural Information

Molecular Formula
C2H3IO2
SMILES
C(C(=O)O)I
InChI
InChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)
InChIKey
JDNTWHVOXJZDSN-UHFFFAOYSA-N
Compound name
2-iodoacetic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1906
References

38188
Patents

185.91779 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.92507 122.1
[M+Na]+ 208.90701 123.3
[M-H]- 184.91051 115.0
[M+NH4]+ 203.95161 140.4
[M+K]+ 224.88095 129.3
[M+H-H2O]+ 168.91505 114.8
[M+HCOO]- 230.91599 140.0
[M+CH3COO]- 244.93164 168.9
[M+Na-2H]- 206.89246 116.6
[M]+ 185.91724 119.2
[M]- 185.91834 119.2
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