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]+ 286.888576 132.6
[M+Na]+ 308.870518 137.4
[M-H]- 284.874024 129.5
[M+NH4]+ 303.915123 149.8
[M+K]+ 324.844458 138.3
[M+H-H2O]+ 268.878560 126.1
[M+HCOO]- 330.879501 143.4
[M+CH3COO]- 344.895151 188.8
[M+Na-2H]- 306.855966 127.0
[M]+ 285.88075142 133.3
[M]- 285.88184858 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