CID 20269860

1,2,5-trichloro-3-iodobenzene

Structural Information

Molecular Formula
C6H2Cl3I
SMILES
C1=C(C=C(C(=C1Cl)Cl)I)Cl
InChI
InChI=1S/C6H2Cl3I/c7-3-1-4(8)6(9)5(10)2-3/h1-2H
InChIKey
YLLMVDOSVGVBJC-UHFFFAOYSA-N
Compound name
1,2,5-trichloro-3-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

305.8267 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.833976 132.7
[M+Na]+ 328.815918 137.8
[M-H]- 304.819424 128.6
[M+NH4]+ 323.860523 149.0
[M+K]+ 344.789858 137.9
[M+H-H2O]+ 288.823960 126.9
[M+HCOO]- 350.824901 138.7
[M+CH3COO]- 364.840551 191.3
[M+Na-2H]- 326.801366 126.9
[M]+ 305.82615142 133.1
[M]- 305.82724858 133.1
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