CID 3042614

60075-78-7

Structural Information

Molecular Formula
C9H11IO
SMILES
C1=CC(=CC=C1CCCO)I
InChI
InChI=1S/C9H11IO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,1-2,7H2
InChIKey
NMDCAVUBMYPYKW-UHFFFAOYSA-N
Compound name
3-(4-iodophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

261.98547 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.99275 140.9
[M+Na]+ 284.97469 146.2
[M+NH4]+ 280.01929 145.5
[M+K]+ 300.94863 142.4
[M-H]- 260.97819 136.9
[M+Na-2H]- 282.96014 135.3
[M]+ 261.98492 139.5
[M]- 261.98602 139.5
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