CID 25207582

1-chloro-2-(4-ethoxybenzyl)-4-iodobenzene

Structural Information

Molecular Formula
C15H14ClIO
SMILES
CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)I)Cl
InChI
InChI=1S/C15H14ClIO/c1-2-18-14-6-3-11(4-7-14)9-12-10-13(17)5-8-15(12)16/h3-8,10H,2,9H2,1H3
InChIKey
CZFRIPGHKLGMEU-UHFFFAOYSA-N
Compound name
1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

371.97778 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.98506 165.3
[M+Na]+ 394.96700 167.5
[M-H]- 370.97050 164.5
[M+NH4]+ 390.01160 178.2
[M+K]+ 410.94094 167.9
[M+H-H2O]+ 354.97504 155.0
[M+HCOO]- 416.97598 179.6
[M+CH3COO]- 430.99163 204.6
[M+Na-2H]- 392.95245 157.9
[M]+ 371.97723 166.6
[M]- 371.97833 166.6
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