CID 141189

1-ethyl-4-iodobenzene

Structural Information

Molecular Formula
C8H9I
SMILES
CCC1=CC=C(C=C1)I
InChI
InChI=1S/C8H9I/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3
InChIKey
OOLSRHZMXAYDFB-UHFFFAOYSA-N
Compound name
1-ethyl-4-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

772
Patents

231.9749 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.98218 131.3
[M+Na]+ 254.96412 137.8
[M+NH4]+ 250.00872 137.0
[M+K]+ 270.93806 133.6
[M-H]- 230.96762 128.4
[M+Na-2H]- 252.94957 127.2
[M]+ 231.97435 130.5
[M]- 231.97545 130.5
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