CID 140924

1-iodo-3,5-dimethylbenzene

Structural Information

Molecular Formula
C8H9I
SMILES
CC1=CC(=CC(=C1)I)C
InChI
InChI=1S/C8H9I/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3
InChIKey
ZLMKEENUYIUKKC-UHFFFAOYSA-N
Compound name
1-iodo-3,5-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

751
Patents

231.9749 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.98218 131.1
[M+Na]+ 254.96412 138.0
[M+NH4]+ 250.00872 136.9
[M+K]+ 270.93806 134.0
[M-H]- 230.96762 128.3
[M+Na-2H]- 252.94957 126.9
[M]+ 231.97435 130.4
[M]- 231.97545 130.4
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