CID 459614

7-(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C10H6F3N
SMILES
C1=CC2=C(C=C(C=C2)C(F)(F)F)N=C1
InChI
InChI=1S/C10H6F3N/c11-10(12,13)8-4-3-7-2-1-5-14-9(7)6-8/h1-6H
InChIKey
CMMSEFHVUYEEDY-UHFFFAOYSA-N
Compound name
7-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

265
Patents

197.04523 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05251 136.5
[M+Na]+ 220.03445 146.7
[M-H]- 196.03795 136.1
[M+NH4]+ 215.07905 155.7
[M+K]+ 236.00839 142.5
[M+H-H2O]+ 180.04249 127.6
[M+HCOO]- 242.04343 154.5
[M+CH3COO]- 256.05908 183.5
[M+Na-2H]- 218.01990 145.6
[M]+ 197.04468 132.4
[M]- 197.04578 132.4
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

patents stripe