CID 63531634

1-iodo-4-(2-phenylethoxy)benzene

Structural Information

Molecular Formula
C14H13IO
SMILES
C1=CC=C(C=C1)CCOC2=CC=C(C=C2)I
InChI
InChI=1S/C14H13IO/c15-13-6-8-14(9-7-13)16-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKey
AVKVNUGAJHOWKC-UHFFFAOYSA-N
Compound name
1-iodo-4-(2-phenylethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.0011 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.00838 157.7
[M+Na]+ 346.99032 157.7
[M-H]- 322.99382 156.5
[M+NH4]+ 342.03492 170.9
[M+K]+ 362.96426 159.9
[M+H-H2O]+ 306.99836 146.5
[M+HCOO]- 368.99930 176.6
[M+CH3COO]- 383.01495 196.2
[M+Na-2H]- 344.97577 152.3
[M]+ 324.00055 155.7
[M]- 324.00165 155.7
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.