CID 20570

P,p'-amino-ddt

Structural Information

Molecular Formula
C14H13Cl3N2
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)N)C(Cl)(Cl)Cl)N
InChI
InChI=1S/C14H13Cl3N2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13H,18-19H2
InChIKey
TYYIOZHLPIBQCJ-UHFFFAOYSA-N
Compound name
4-[1-(4-aminophenyl)-2,2,2-trichloroethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

482
Patents

314.01443 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.02171 169.6
[M+Na]+ 337.00365 177.8
[M-H]- 313.00715 173.5
[M+NH4]+ 332.04825 184.6
[M+K]+ 352.97759 170.1
[M+H-H2O]+ 297.01169 164.8
[M+HCOO]- 359.01263 177.1
[M+CH3COO]- 373.02828 206.5
[M+Na-2H]- 334.98910 171.7
[M]+ 314.01388 169.1
[M]- 314.01498 169.1
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