CID 2736876

4,8-dichloro-2-(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C10H4Cl2F3N
SMILES
C1=CC2=C(C(=C1)Cl)N=C(C=C2Cl)C(F)(F)F
InChI
InChI=1S/C10H4Cl2F3N/c11-6-3-1-2-5-7(12)4-8(10(13,14)15)16-9(5)6/h1-4H
InChIKey
ILLBOMMZLXFMAY-UHFFFAOYSA-N
Compound name
4,8-dichloro-2-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

264.9673 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.97458 146.3
[M+Na]+ 287.95652 159.3
[M-H]- 263.96002 145.6
[M+NH4]+ 283.00112 164.6
[M+K]+ 303.93046 152.2
[M+H-H2O]+ 247.96456 138.8
[M+HCOO]- 309.96550 154.6
[M+CH3COO]- 323.98115 194.1
[M+Na-2H]- 285.94197 152.7
[M]+ 264.96675 146.4
[M]- 264.96785 146.4
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