CID 148445

Bis(4-amino-2,3-dichlorophenyl)methane

Structural Information

Molecular Formula
C13H10Cl4N2
SMILES
C1=CC(=C(C(=C1CC2=C(C(=C(C=C2)N)Cl)Cl)Cl)Cl)N
InChI
InChI=1S/C13H10Cl4N2/c14-10-6(1-3-8(18)12(10)16)5-7-2-4-9(19)13(17)11(7)15/h1-4H,5,18-19H2
InChIKey
PPUHQXZSLCCTAN-UHFFFAOYSA-N
Compound name
4-[(4-amino-2,3-dichlorophenyl)methyl]-2,3-dichloroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2660
Patents

333.9598 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.96708 172.9
[M+Na]+ 356.94902 183.9
[M-H]- 332.95252 175.6
[M+NH4]+ 351.99362 187.5
[M+K]+ 372.92296 175.9
[M+H-H2O]+ 316.95706 169.0
[M+HCOO]- 378.95800 177.2
[M+CH3COO]- 392.97365 182.6
[M+Na-2H]- 354.93447 171.5
[M]+ 333.95925 173.6
[M]- 333.96035 173.6
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