CID 117516

25464-95-3

Structural Information

Molecular Formula
C13H10Cl4N2
SMILES
C1=C(C=C(C(=C1Cl)N)Cl)CC2=CC(=C(C(=C2)Cl)N)Cl
InChI
InChI=1S/C13H10Cl4N2/c14-8-2-6(3-9(15)12(8)18)1-7-4-10(16)13(19)11(17)5-7/h2-5H,1,18-19H2
InChIKey
YZHBFXOFILAJSC-UHFFFAOYSA-N
Compound name
4-[(4-amino-3,5-dichlorophenyl)methyl]-2,6-dichloroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
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 173.9
[M+Na]+ 356.94902 189.8
[M+NH4]+ 351.99362 182.7
[M+K]+ 372.92296 180.0
[M-H]- 332.95252 178.7
[M+Na-2H]- 354.93447 181.3
[M]+ 333.95925 178.8
[M]- 333.96035 178.8
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