CID 155820606

2,4,5-trichloro-6-methoxyquinoline

Structural Information

Molecular Formula
C10H6Cl3NO
SMILES
COC1=C(C2=C(C=C1)N=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C10H6Cl3NO/c1-15-7-3-2-6-9(10(7)13)5(11)4-8(12)14-6/h2-4H,1H3
InChIKey
OBQBFWCIXUTCKN-UHFFFAOYSA-N
Compound name
2,4,5-trichloro-6-methoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.9515 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.95878 147.1
[M+Na]+ 283.94072 160.0
[M-H]- 259.94422 149.1
[M+NH4]+ 278.98532 165.6
[M+K]+ 299.91466 153.9
[M+H-H2O]+ 243.94876 142.7
[M+HCOO]- 305.94970 154.7
[M+CH3COO]- 319.96535 159.8
[M+Na-2H]- 281.92617 152.7
[M]+ 260.95095 152.6
[M]- 260.95205 152.6
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.