CID 12269

1-chloro-3-iodobenzene

Structural Information

Molecular Formula
C6H4ClI
SMILES
C1=CC(=CC(=C1)I)Cl
InChI
InChI=1S/C6H4ClI/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey
JMLWXCJXOYDXRN-UHFFFAOYSA-N
Compound name
1-chloro-3-iodobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2465
Patents

237.90463 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.91191 126.0
[M+Na]+ 260.89385 129.0
[M-H]- 236.89735 122.9
[M+NH4]+ 255.93845 144.0
[M+K]+ 276.86779 131.5
[M+H-H2O]+ 220.90189 118.4
[M+HCOO]- 282.90283 141.8
[M+CH3COO]- 296.91848 179.4
[M+Na-2H]- 258.87930 122.4
[M]+ 237.90408 124.6
[M]- 237.90518 124.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.