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

51
Patents

210.99556 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.002836 138.4
[M+Na]+ 233.984778 150.8
[M-H]- 209.988284 141.4
[M+NH4]+ 229.029383 158.9
[M+K]+ 249.958718 144.6
[M+H-H2O]+ 193.992820 133.4
[M+HCOO]- 255.993761 151.4
[M+CH3COO]- 270.009411 152.2
[M+Na-2H]- 231.970226 145.9
[M]+ 210.99501142 142.1
[M]- 210.99610858 142.1
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

patents stripe