CID 91654529

2-chloro-4-(chloromethyl)-1-iodobenzene

Structural Information

Molecular Formula
C7H5Cl2I
SMILES
C1=CC(=C(C=C1CCl)Cl)I
InChI
InChI=1S/C7H5Cl2I/c8-4-5-1-2-7(10)6(9)3-5/h1-3H,4H2
InChIKey
MDWXDEKMZYMJSQ-UHFFFAOYSA-N
Compound name
2-chloro-4-(chloromethyl)-1-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]+ 286.888576 134.0
[M+Na]+ 308.870518 137.9
[M-H]- 284.874024 130.5
[M+NH4]+ 303.915123 150.9
[M+K]+ 324.844458 138.7
[M+H-H2O]+ 268.878560 127.1
[M+HCOO]- 330.879501 144.8
[M+CH3COO]- 344.895151 187.8
[M+Na-2H]- 306.855966 128.9
[M]+ 285.88075142 134.3
[M]- 285.88184858 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.