CID 2735960

4-amino-7-(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C10H7F3N2
SMILES
C1=CC2=C(C=CN=C2C=C1C(F)(F)F)N
InChI
InChI=1S/C10H7F3N2/c11-10(12,13)6-1-2-7-8(14)3-4-15-9(7)5-6/h1-5H,(H2,14,15)
InChIKey
QZOOIAOULGJTJI-UHFFFAOYSA-N
Compound name
7-(trifluoromethyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

71
Patents

212.05614 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06342 141.0
[M+Na]+ 235.04536 151.3
[M-H]- 211.04886 140.4
[M+NH4]+ 230.08996 159.3
[M+K]+ 251.01930 146.7
[M+H-H2O]+ 195.05340 132.1
[M+HCOO]- 257.05434 159.5
[M+CH3COO]- 271.06999 188.7
[M+Na-2H]- 233.03081 148.7
[M]+ 212.05559 135.7
[M]- 212.05669 135.7
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