CID 2758222

6,7-dichloroquinaldine

Structural Information

Molecular Formula
C10H7Cl2N
SMILES
CC1=NC2=CC(=C(C=C2C=C1)Cl)Cl
InChI
InChI=1S/C10H7Cl2N/c1-6-2-3-7-4-8(11)9(12)5-10(7)13-6/h2-5H,1H3
InChIKey
XYNNEGCJICWPFL-UHFFFAOYSA-N
Compound name
6,7-dichloro-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

210.99556 Da
Monoisotopic Mass

3.8
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

No literature data available for this compound.

Patent stripe

patents stripe