CID 93289

Trichlophenidine

Structural Information

Molecular Formula
C16H13Cl5N2
SMILES
C1CN(C(N1C2=CC(=CC=C2)Cl)C(Cl)(Cl)Cl)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H13Cl5N2/c17-11-3-1-5-13(9-11)22-7-8-23(15(22)16(19,20)21)14-6-2-4-12(18)10-14/h1-6,9-10,15H,7-8H2
InChIKey
NFQIYHPAGNZAOO-UHFFFAOYSA-N
Compound name
1,3-bis(3-chlorophenyl)-2-(trichloromethyl)imidazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1523
Patents

407.95215 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.959426 193.3
[M+Na]+ 430.941368 201.1
[M-H]- 406.944874 193.7
[M+NH4]+ 425.985973 203.1
[M+K]+ 446.915308 194.3
[M+H-H2O]+ 390.949410 184.0
[M+HCOO]- 452.950351 184.8
[M+CH3COO]- 466.966001 198.9
[M+Na-2H]- 428.926816 189.2
[M]+ 407.95160142 190.9
[M]- 407.95269858 190.9
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