CID 86187798

3-iodoprop-2-ynal

Structural Information

Molecular Formula
C3HIO
SMILES
C(=O)C#CI
InChI
InChI=1S/C3HIO/c4-2-1-3-5/h3H
InChIKey
KSZLXUUEARNIAV-UHFFFAOYSA-N
Compound name
3-iodoprop-2-ynal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

179.90721 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.91449 117.2
[M+Na]+ 202.89643 121.7
[M-H]- 178.89993 111.6
[M+NH4]+ 197.94103 134.5
[M+K]+ 218.87037 125.7
[M+H-H2O]+ 162.90447 104.7
[M+HCOO]- 224.90541 132.2
[M+CH3COO]- 238.92106 178.9
[M+Na-2H]- 200.88188 113.9
[M]+ 179.90666 110.6
[M]- 179.90776 110.6
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