CID 817824

2,4-dichloro-3-methylquinoline

Structural Information

Molecular Formula
C10H7Cl2N
SMILES
CC1=C(C2=CC=CC=C2N=C1Cl)Cl
InChI
InChI=1S/C10H7Cl2N/c1-6-9(11)7-4-2-3-5-8(7)13-10(6)12/h2-5H,1H3
InChIKey
NVZMNNRRENJIRV-UHFFFAOYSA-N
Compound name
2,4-dichloro-3-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

210.99556 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00284 138.8
[M+Na]+ 233.98478 156.9
[M+NH4]+ 229.02938 149.7
[M+K]+ 249.95872 147.2
[M-H]- 209.98828 142.6
[M+Na-2H]- 231.97023 147.9
[M]+ 210.99501 143.4
[M]- 210.99611 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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