CID 13889810

8-iodooct-1-ene

Structural Information

Molecular Formula
C8H15I
SMILES
C=CCCCCCCI
InChI
InChI=1S/C8H15I/c1-2-3-4-5-6-7-8-9/h2H,1,3-8H2
InChIKey
XBRJYHWTXTYAOC-UHFFFAOYSA-N
Compound name
8-iodooct-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

347
Patents

238.02185 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.02913 140.7
[M+Na]+ 261.01107 140.2
[M-H]- 237.01457 133.9
[M+NH4]+ 256.05567 157.9
[M+K]+ 276.98501 144.5
[M+H-H2O]+ 221.01911 132.5
[M+HCOO]- 283.02005 158.7
[M+CH3COO]- 297.03570 184.3
[M+Na-2H]- 258.99652 134.0
[M]+ 238.02130 139.7
[M]- 238.02240 139.7
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