CID 385632

Nsc676978

Structural Information

Molecular Formula
C14H9F3N2
SMILES
C1=CC2=C(C=CN=C2C=C1C(F)(F)F)C3=CNC=C3
InChI
InChI=1S/C14H9F3N2/c15-14(16,17)10-1-2-12-11(9-3-5-18-8-9)4-6-19-13(12)7-10/h1-8,18H
InChIKey
SKMUNTTVUSRNRM-UHFFFAOYSA-N
Compound name
4-(1H-pyrrol-3-yl)-7-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.07178 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.07906 154.4
[M+Na]+ 285.06100 165.6
[M-H]- 261.06450 155.1
[M+NH4]+ 280.10560 170.7
[M+K]+ 301.03494 158.6
[M+H-H2O]+ 245.06904 144.1
[M+HCOO]- 307.06998 171.8
[M+CH3COO]- 321.08563 166.0
[M+Na-2H]- 283.04645 160.7
[M]+ 262.07123 150.7
[M]- 262.07233 150.7
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.