CID 75409816

1,3-dichloro-4-iodo-2-methylbenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 132.6
[M+Na]+ 308.87052 137.4
[M-H]- 284.87402 129.5
[M+NH4]+ 303.91512 149.8
[M+K]+ 324.84446 138.3
[M+H-H2O]+ 268.87856 126.1
[M+HCOO]- 330.87950 143.4
[M+CH3COO]- 344.89515 188.8
[M+Na-2H]- 306.85597 127.0
[M]+ 285.88075 133.3
[M]- 285.88185 133.3
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

patents stripe