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 148.8
[M+Na]+ 283.94072 166.6
[M+NH4]+ 278.98532 158.8
[M+K]+ 299.91466 157.2
[M-H]- 259.94422 151.7
[M+Na-2H]- 281.92617 156.8
[M]+ 260.95095 153.3
[M]- 260.95205 153.3
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.