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

88
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 143.0
[M+Na]+ 284.97469 143.5
[M-H]- 260.97819 138.3
[M+NH4]+ 280.01929 158.5
[M+K]+ 300.94863 146.8
[M+H-H2O]+ 244.98273 134.0
[M+HCOO]- 306.98367 160.8
[M+CH3COO]- 320.99932 183.6
[M+Na-2H]- 282.96014 137.2
[M]+ 261.98492 140.3
[M]- 261.98602 140.3
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