CID 27465

2,2',5,5'-tetrachlorobenzidine

Structural Information

Molecular Formula
C12H8Cl4N2
SMILES
C1=C(C(=CC(=C1Cl)N)Cl)C2=CC(=C(C=C2Cl)N)Cl
InChI
InChI=1S/C12H8Cl4N2/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H,17-18H2
InChIKey
UXOXUHMFQZEAFR-UHFFFAOYSA-N
Compound name
4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

2773
Patents

319.94415 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.95143 168.5
[M+Na]+ 342.93337 180.0
[M-H]- 318.93687 171.4
[M+NH4]+ 337.97797 183.7
[M+K]+ 358.90731 172.2
[M+H-H2O]+ 302.94141 165.0
[M+HCOO]- 364.94235 173.2
[M+CH3COO]- 378.95800 178.7
[M+Na-2H]- 340.91882 167.7
[M]+ 319.94360 169.0
[M]- 319.94470 169.0
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