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

479
Patents

314.01443 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.021706 169.6
[M+Na]+ 337.003648 177.8
[M-H]- 313.007154 173.5
[M+NH4]+ 332.048253 184.6
[M+K]+ 352.977588 170.1
[M+H-H2O]+ 297.011690 164.8
[M+HCOO]- 359.012631 177.1
[M+CH3COO]- 373.028281 206.5
[M+Na-2H]- 334.989096 171.7
[M]+ 314.01388142 169.1
[M]- 314.01497858 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