CID 3057242

73987-34-5

Structural Information

Molecular Formula
C10H6Cl4N2
SMILES
C1=CC=C2C(=C1)C(=C(C(=N2)C(Cl)(Cl)Cl)Cl)N
InChI
InChI=1S/C10H6Cl4N2/c11-7-8(15)5-3-1-2-4-6(5)16-9(7)10(12,13)14/h1-4H,(H2,15,16)
InChIKey
KQCLZWSBHCTDLN-UHFFFAOYSA-N
Compound name
3-chloro-2-(trichloromethyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.9285 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.93578 159.3
[M+Na]+ 316.91772 170.2
[M-H]- 292.92122 158.9
[M+NH4]+ 311.96232 175.2
[M+K]+ 332.89166 163.4
[M+H-H2O]+ 276.92576 155.2
[M+HCOO]- 338.92670 159.9
[M+CH3COO]- 352.94235 169.3
[M+Na-2H]- 314.90317 163.6
[M]+ 293.92795 160.1
[M]- 293.92905 160.1
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

No patent data available for this compound.