CID 18998

2,3,5,6-tetrachloroaniline

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

6
References

937
Patents

228.90196 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.909236 141.6
[M+Na]+ 251.891178 153.1
[M-H]- 227.894684 142.0
[M+NH4]+ 246.935783 160.4
[M+K]+ 267.865118 146.9
[M+H-H2O]+ 211.899220 139.9
[M+HCOO]- 273.900161 146.3
[M+CH3COO]- 287.915811 191.5
[M+Na-2H]- 249.876626 143.6
[M]+ 228.90141142 142.0
[M]- 228.90250858 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

literature stripe

Patent stripe

patents stripe