CID 2776865

4,5,7-trichloro-2-(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C10H3Cl3F3N
SMILES
C1=C(C=C(C2=C1N=C(C=C2Cl)C(F)(F)F)Cl)Cl
InChI
InChI=1S/C10H3Cl3F3N/c11-4-1-5(12)9-6(13)3-8(10(14,15)16)17-7(9)2-4/h1-3H
InChIKey
LJFUUVXYSQLASW-UHFFFAOYSA-N
Compound name
4,5,7-trichloro-2-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

298.9283 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.93558 151.4
[M+Na]+ 321.91752 164.9
[M-H]- 297.92102 149.7
[M+NH4]+ 316.96212 168.4
[M+K]+ 337.89146 157.3
[M+H-H2O]+ 281.92556 144.5
[M+HCOO]- 343.92650 154.3
[M+CH3COO]- 357.94215 200.3
[M+Na-2H]- 319.90297 156.0
[M]+ 298.92775 152.0
[M]- 298.92885 152.0
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

patents stripe