CID 78324000

178984-52-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

221.06075 Da
Monoisotopic Mass

3.7
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

literature stripe

Patent stripe

patents stripe