CID 12402

1-iodooctadecane

Structural Information

Molecular Formula
C18H37I
SMILES
CCCCCCCCCCCCCCCCCCI
InChI
InChI=1S/C18H37I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
InChIKey
ZNJOCVLVYVOUGB-UHFFFAOYSA-N
Compound name
1-iodooctadecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2047
Patents

380.194 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.20128 190.7
[M+Na]+ 403.18322 185.9
[M-H]- 379.18672 181.8
[M+NH4]+ 398.22782 202.4
[M+K]+ 419.15716 187.9
[M+H-H2O]+ 363.19126 180.2
[M+HCOO]- 425.19220 205.0
[M+CH3COO]- 439.20785 213.5
[M+Na-2H]- 401.16867 178.2
[M]+ 380.19345 193.6
[M]- 380.19455 193.6
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