CID 11193

2-iodooctane

Structural Information

Molecular Formula
C8H17I
SMILES
CCCCCCC(C)I
InChI
InChI=1S/C8H17I/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3
InChIKey
XFLOGTUFKZCFTK-UHFFFAOYSA-N
Compound name
2-iodooctane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

111
Patents

240.0375 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04478 142.8
[M+Na]+ 263.02672 141.8
[M-H]- 239.03022 136.1
[M+NH4]+ 258.07132 159.9
[M+K]+ 279.00066 147.0
[M+H-H2O]+ 223.03476 134.6
[M+HCOO]- 285.03570 159.7
[M+CH3COO]- 299.05135 185.9
[M+Na-2H]- 261.01217 134.8
[M]+ 240.03695 141.8
[M]- 240.03805 141.8
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