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

26
Patents

298.9283 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.935576 151.4
[M+Na]+ 321.917518 164.9
[M-H]- 297.921024 149.7
[M+NH4]+ 316.962123 168.4
[M+K]+ 337.891458 157.3
[M+H-H2O]+ 281.925560 144.5
[M+HCOO]- 343.926501 154.3
[M+CH3COO]- 357.942151 200.3
[M+Na-2H]- 319.902966 156.0
[M]+ 298.92775142 152.0
[M]- 298.92884858 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