CID 11007

1-iodohexadecane

Structural Information

Molecular Formula
C16H33I
SMILES
CCCCCCCCCCCCCCCCI
InChI
InChI=1S/C16H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
InChIKey
KMWHQYDMBYABKL-UHFFFAOYSA-N
Compound name
1-iodohexadecane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

1156
Patents

352.1627 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.16998 181.2
[M+Na]+ 375.15192 177.2
[M-H]- 351.15542 172.8
[M+NH4]+ 370.19652 194.0
[M+K]+ 391.12586 179.8
[M+H-H2O]+ 335.15996 171.2
[M+HCOO]- 397.16090 196.3
[M+CH3COO]- 411.17655 207.9
[M+Na-2H]- 373.13737 169.9
[M]+ 352.16215 183.5
[M]- 352.16325 183.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.