CID 43531975

4-chloro-6-(propan-2-yloxy)quinoline

Structural Information

Molecular Formula
C12H12ClNO
SMILES
CC(C)OC1=CC2=C(C=CN=C2C=C1)Cl
InChI
InChI=1S/C12H12ClNO/c1-8(2)15-9-3-4-12-10(7-9)11(13)5-6-14-12/h3-8H,1-2H3
InChIKey
NZYSHMFIANGSCP-UHFFFAOYSA-N
Compound name
4-chloro-6-propan-2-yloxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06075 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06803 145.1
[M+Na]+ 244.04997 155.0
[M-H]- 220.05347 148.4
[M+NH4]+ 239.09457 164.5
[M+K]+ 260.02391 150.7
[M+H-H2O]+ 204.05801 139.0
[M+HCOO]- 266.05895 161.9
[M+CH3COO]- 280.07460 189.3
[M+Na-2H]- 242.03542 152.0
[M]+ 221.06020 149.0
[M]- 221.06130 149.0
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.