CID 67668

4-chloro-7-(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C10H5ClF3N
SMILES
C1=CC2=C(C=CN=C2C=C1C(F)(F)F)Cl
InChI
InChI=1S/C10H5ClF3N/c11-8-3-4-15-9-5-6(10(12,13)14)1-2-7(8)9/h1-5H
InChIKey
LLRQVSZVVAKRJA-UHFFFAOYSA-N
Compound name
4-chloro-7-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

559
Patents

231.00626 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.013536 141.5
[M+Na]+ 253.995478 153.4
[M-H]- 229.998984 141.2
[M+NH4]+ 249.040083 160.5
[M+K]+ 269.969418 147.4
[M+H-H2O]+ 214.003520 133.3
[M+HCOO]- 276.004461 155.0
[M+CH3COO]- 290.020111 188.4
[M+Na-2H]- 251.980926 149.4
[M]+ 231.00571142 140.0
[M]- 231.00680858 140.0
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