CID 3051858

10-(4-iodophenyl)undecan-1-ol

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 182.0
[M+Na]+ 397.09988 178.9
[M-H]- 373.10338 175.7
[M+NH4]+ 392.14448 193.0
[M+K]+ 413.07382 180.6
[M+H-H2O]+ 357.10792 171.2
[M+HCOO]- 419.10886 196.0
[M+CH3COO]- 433.12451 207.0
[M+Na-2H]- 395.08533 170.3
[M]+ 374.11011 181.2
[M]- 374.11121 181.2
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.