CID 17039831

4,5-dichloro-8-methylquinoline

Structural Information

Molecular Formula
C10H7Cl2N
SMILES
CC1=C2C(=C(C=C1)Cl)C(=CC=N2)Cl
InChI
InChI=1S/C10H7Cl2N/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9/h2-5H,1H3
InChIKey
IYXRCWLZIIBTGX-UHFFFAOYSA-N
Compound name
4,5-dichloro-8-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.99556 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00284 138.4
[M+Na]+ 233.98478 150.8
[M-H]- 209.98828 141.4
[M+NH4]+ 229.02938 158.9
[M+K]+ 249.95872 144.6
[M+H-H2O]+ 193.99282 133.4
[M+HCOO]- 255.99376 151.4
[M+CH3COO]- 270.00941 152.2
[M+Na-2H]- 231.97023 145.9
[M]+ 210.99501 142.1
[M]- 210.99611 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.