CID 1084819

2-chloro-3-ethylquinoline

Structural Information

Molecular Formula
C11H10ClN
SMILES
CCC1=CC2=CC=CC=C2N=C1Cl
InChI
InChI=1S/C11H10ClN/c1-2-8-7-9-5-3-4-6-10(9)13-11(8)12/h3-7H,2H2,1H3
InChIKey
YODDHGXTAMHZHI-UHFFFAOYSA-N
Compound name
2-chloro-3-ethylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

31
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 137.3
[M+Na]+ 214.039388 148.1
[M-H]- 190.042894 140.6
[M+NH4]+ 209.083993 158.0
[M+K]+ 230.013328 142.9
[M+H-H2O]+ 174.047430 131.4
[M+HCOO]- 236.048371 155.2
[M+CH3COO]- 250.064021 151.2
[M+Na-2H]- 212.024836 145.9
[M]+ 191.04962142 140.0
[M]- 191.05071858 140.0
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