CID 60074747

4-(4-iodophenyl)butan-1-ol

Structural Information

Molecular Formula
C10H13IO
SMILES
C1=CC(=CC=C1CCCCO)I
InChI
InChI=1S/C10H13IO/c11-10-6-4-9(5-7-10)3-1-2-8-12/h4-7,12H,1-3,8H2
InChIKey
YUWKNOUXISPCTJ-UHFFFAOYSA-N
Compound name
4-(4-iodophenyl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

276.0011 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.00838 147.9
[M+Na]+ 298.99032 148.0
[M-H]- 274.99382 143.0
[M+NH4]+ 294.03492 162.9
[M+K]+ 314.96426 151.0
[M+H-H2O]+ 258.99836 138.7
[M+HCOO]- 320.99930 165.4
[M+CH3COO]- 335.01495 186.5
[M+Na-2H]- 296.97577 141.5
[M]+ 276.00055 145.5
[M]- 276.00165 145.5
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

patents stripe