CID 13296922

1-iodo-4-propoxybenzene

Structural Information

Molecular Formula
C9H11IO
SMILES
CCCOC1=CC=C(C=C1)I
InChI
InChI=1S/C9H11IO/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6H,2,7H2,1H3
InChIKey
GQJCFYZXZYFGLV-UHFFFAOYSA-N
Compound name
1-iodo-4-propoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

261.98547 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.99275 141.3
[M+Na]+ 284.97469 142.2
[M-H]- 260.97819 137.9
[M+NH4]+ 280.01929 157.5
[M+K]+ 300.94863 146.4
[M+H-H2O]+ 244.98273 132.1
[M+HCOO]- 306.98367 160.6
[M+CH3COO]- 320.99932 186.2
[M+Na-2H]- 282.96014 136.1
[M]+ 261.98492 140.4
[M]- 261.98602 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe