CID 168294564

Chembl5206100

Structural Information

Molecular Formula
C18H10ClF3N2
SMILES
C1=CC(=CC=C1C2=C3C(=C4C=CC(=CC4=N2)C(F)(F)F)C=CN3)Cl
InChI
InChI=1S/C18H10ClF3N2/c19-12-4-1-10(2-5-12)16-17-14(7-8-23-17)13-6-3-11(18(20,21)22)9-15(13)24-16/h1-9,23H
InChIKey
VLVNYORIAZPHGA-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-7-(trifluoromethyl)-3H-pyrrolo[2,3-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.04846 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.05574 176.7
[M+Na]+ 369.03768 190.1
[M-H]- 345.04118 178.4
[M+NH4]+ 364.08228 191.7
[M+K]+ 385.01162 180.0
[M+H-H2O]+ 329.04572 166.0
[M+HCOO]- 391.04666 187.7
[M+CH3COO]- 405.06231 187.3
[M+Na-2H]- 367.02313 181.5
[M]+ 346.04791 176.4
[M]- 346.04901 176.4
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

No patent data available for this compound.