CID 28503

(2-iodoethyl)benzene

Structural Information

Molecular Formula
C8H9I
SMILES
C1=CC=C(C=C1)CCI
InChI
InChI=1S/C8H9I/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
KVTHPKXDLVYNCH-UHFFFAOYSA-N
Compound name
2-iodoethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1355
Patents

231.9749 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.98218 131.5
[M+Na]+ 254.96412 137.6
[M+NH4]+ 250.00872 137.2
[M+K]+ 270.93806 133.3
[M-H]- 230.96762 128.5
[M+Na-2H]- 252.94957 127.6
[M]+ 231.97435 130.6
[M]- 231.97545 130.6
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