CID 11166

Allyl iodide

Structural Information

Molecular Formula
C3H5I
SMILES
C=CCI
InChI
InChI=1S/C3H5I/c1-2-3-4/h2H,1,3H2
InChIKey
HFEHLDPGIKPNKL-UHFFFAOYSA-N
Compound name
3-iodoprop-1-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

24
References

25924
Patents

167.9436 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.95088 116.2
[M+Na]+ 190.93282 117.7
[M-H]- 166.93632 110.4
[M+NH4]+ 185.97742 136.1
[M+K]+ 206.90676 123.3
[M+H-H2O]+ 150.94086 109.1
[M+HCOO]- 212.94180 135.9
[M+CH3COO]- 226.95745 170.0
[M+Na-2H]- 188.91827 112.4
[M]+ 167.94305 113.5
[M]- 167.94415 113.5
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