CID 129960270

1-chloro-3-(chloromethyl)-2-iodobenzene

Structural Information

Molecular Formula
C7H5Cl2I
SMILES
C1=CC(=C(C(=C1)Cl)I)CCl
InChI
InChI=1S/C7H5Cl2I/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2
InChIKey
GUIPEMXGASFRSR-UHFFFAOYSA-N
Compound name
1-chloro-3-(chloromethyl)-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.8813 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.88858 134.0
[M+Na]+ 308.87052 137.9
[M-H]- 284.87402 130.5
[M+NH4]+ 303.91512 150.9
[M+K]+ 324.84446 138.7
[M+H-H2O]+ 268.87856 127.1
[M+HCOO]- 330.87950 144.8
[M+CH3COO]- 344.89515 187.8
[M+Na-2H]- 306.85597 128.9
[M]+ 285.88075 134.3
[M]- 285.88185 134.3
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.