CID 982735

84882-86-0

Structural Information

Molecular Formula
C17H16Cl2FN3O
SMILES
C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CC=C(C=C3)F
InChI
InChI=1S/C17H16Cl2FN3O/c18-15-6-5-14(11-16(15)19)22-7-9-23(10-8-22)17(24)21-13-3-1-12(20)2-4-13/h1-6,11H,7-10H2,(H,21,24)
InChIKey
OZWLSESCMVQRNI-UHFFFAOYSA-N
Compound name
4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.06546 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.07274 181.9
[M+Na]+ 390.05468 189.4
[M-H]- 366.05818 186.1
[M+NH4]+ 385.09928 192.3
[M+K]+ 406.02862 181.7
[M+H-H2O]+ 350.06272 171.3
[M+HCOO]- 412.06366 189.1
[M+CH3COO]- 426.07931 190.4
[M+Na-2H]- 388.04013 182.3
[M]+ 367.06491 179.6
[M]- 367.06601 179.6
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

No patent data available for this compound.