CID 12380

1-iodooctane

Structural Information

Molecular Formula
C8H17I
SMILES
CCCCCCCCI
InChI
InChI=1S/C8H17I/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
InChIKey
UWLHSHAHTBJTBA-UHFFFAOYSA-N
Compound name
1-iodooctane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

5
References

4183
Patents

240.0375 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.044776 142.8
[M+Na]+ 263.026718 142.0
[M-H]- 239.030224 135.9
[M+NH4]+ 258.071323 159.9
[M+K]+ 279.000658 146.8
[M+H-H2O]+ 223.034760 134.5
[M+HCOO]- 285.035701 160.5
[M+CH3COO]- 299.051351 185.2
[M+Na-2H]- 261.012166 136.0
[M]+ 240.03695142 142.3
[M]- 240.03804858 142.3
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