CID 638126

(2e)-3-iodoprop-2-enoic acid

Structural Information

Molecular Formula
C3H3IO2
SMILES
C(=C/I)\C(=O)O
InChI
InChI=1S/C3H3IO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1+
InChIKey
IBFDLVHJHUMSAC-OWOJBTEDSA-N
Compound name
(E)-3-iodoprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

219
Patents

197.91779 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.925066 125.1
[M+Na]+ 220.907008 126.3
[M-H]- 196.910514 118.0
[M+NH4]+ 215.951613 142.9
[M+K]+ 236.880948 131.5
[M+H-H2O]+ 180.915050 117.8
[M+HCOO]- 242.915991 142.9
[M+CH3COO]- 256.931641 170.2
[M+Na-2H]- 218.892456 119.1
[M]+ 197.91724142 121.8
[M]- 197.91833858 121.8
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