CID 3051858

67987-28-4

Structural Information

Molecular Formula
C17H27IO
SMILES
CC(CCCCCCCCCO)C1=CC=C(C=C1)I
InChI
InChI=1S/C17H27IO/c1-15(16-10-12-17(18)13-11-16)9-7-5-3-2-4-6-8-14-19/h10-13,15,19H,2-9,14H2,1H3
InChIKey
ZJLWUXUOKNWNPC-UHFFFAOYSA-N
Compound name
10-(4-iodophenyl)undecan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.11066 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.11794 177.7
[M+Na]+ 397.09988 181.1
[M+NH4]+ 392.14448 180.9
[M+K]+ 413.07382 176.1
[M-H]- 373.10338 173.2
[M+Na-2H]- 395.08533 169.5
[M]+ 374.11011 175.8
[M]- 374.11121 175.8
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.