CID 848552

2-chloro-3,7-dimethylquinoline

Structural Information

Molecular Formula
C11H10ClN
SMILES
CC1=CC2=C(C=C1)C=C(C(=N2)Cl)C
InChI
InChI=1S/C11H10ClN/c1-7-3-4-9-6-8(2)11(12)13-10(9)5-7/h3-6H,1-2H3
InChIKey
VRCFMOSCDFQGJA-UHFFFAOYSA-N
Compound name
2-chloro-3,7-dimethylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

191.05017 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.057446 137.0
[M+Na]+ 214.039388 148.7
[M-H]- 190.042894 140.8
[M+NH4]+ 209.083993 158.1
[M+K]+ 230.013328 143.6
[M+H-H2O]+ 174.047430 131.4
[M+HCOO]- 236.048371 154.9
[M+CH3COO]- 250.064021 151.3
[M+Na-2H]- 212.024836 144.9
[M]+ 191.04962142 140.1
[M]- 191.05071858 140.1
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