CID 118996997

1,5-dichloro-2-iodo-4-methylbenzene

Structural Information

Molecular Formula
C7H5Cl2I
SMILES
CC1=CC(=C(C=C1Cl)Cl)I
InChI
InChI=1S/C7H5Cl2I/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,1H3
InChIKey
RJVCIWMIAJMKGK-UHFFFAOYSA-N
Compound name
1,5-dichloro-2-iodo-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.8813 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.88858 135.3
[M+Na]+ 308.87052 144.0
[M+NH4]+ 303.91512 141.5
[M+K]+ 324.84446 139.1
[M-H]- 284.87402 132.5
[M+Na-2H]- 306.85597 131.7
[M]+ 285.88075 135.5
[M]- 285.88185 135.5
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

patents stripe