CID 11993

1-chloro-2-iodobenzene

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2418
Patents

237.90463 Da
Monoisotopic Mass

3.7
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

literature stripe

Patent stripe

patents stripe