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

4
Patents

305.8267 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.83398 132.7
[M+Na]+ 328.81592 137.8
[M-H]- 304.81942 128.6
[M+NH4]+ 323.86052 149.0
[M+K]+ 344.78986 137.9
[M+H-H2O]+ 288.82396 126.9
[M+HCOO]- 350.82490 138.7
[M+CH3COO]- 364.84055 191.3
[M+Na-2H]- 326.80137 126.9
[M]+ 305.82615 133.1
[M]- 305.82725 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