CID 140367

1-ethyl-2-iodobenzene

Structural Information

Molecular Formula
C8H9I
SMILES
CCC1=CC=CC=C1I
InChI
InChI=1S/C8H9I/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3
InChIKey
ZEJZDNMOGNUIHL-UHFFFAOYSA-N
Compound name
1-ethyl-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

577
Patents

231.9749 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.982176 131.4
[M+Na]+ 254.964118 132.9
[M-H]- 230.967624 128.3
[M+NH4]+ 250.008723 148.9
[M+K]+ 270.938058 136.9
[M+H-H2O]+ 214.972160 122.8
[M+HCOO]- 276.973101 150.9
[M+CH3COO]- 290.988751 181.5
[M+Na-2H]- 252.949566 127.0
[M]+ 231.97435142 128.9
[M]- 231.97544858 128.9
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