CID 12466

2,3,4,5-tetrachloroaniline

Structural Information

Molecular Formula
C6H3Cl4N
SMILES
C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)N
InChI
InChI=1S/C6H3Cl4N/c7-2-1-3(11)5(9)6(10)4(2)8/h1H,11H2
InChIKey
GBKZRUCVLTWAML-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrachloroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

343
Patents

228.90196 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.90924 141.6
[M+Na]+ 251.89118 153.1
[M-H]- 227.89468 142.0
[M+NH4]+ 246.93578 160.4
[M+K]+ 267.86512 146.9
[M+H-H2O]+ 211.89922 139.9
[M+HCOO]- 273.90016 146.3
[M+CH3COO]- 287.91581 191.5
[M+Na-2H]- 249.87663 143.6
[M]+ 228.90141 142.0
[M]- 228.90251 142.0
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

No patent data available for this compound.