CID 10965377

4-chloro-2-methoxyquinoline

Structural Information

Molecular Formula
C10H8ClNO
SMILES
COC1=NC2=CC=CC=C2C(=C1)Cl
InChI
InChI=1S/C10H8ClNO/c1-13-10-6-8(11)7-4-2-3-5-9(7)12-10/h2-6H,1H3
InChIKey
NRHZVBQTBUCSQH-UHFFFAOYSA-N
Compound name
4-chloro-2-methoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

193.02943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.036706 135.7
[M+Na]+ 216.018648 146.9
[M-H]- 192.022154 139.3
[M+NH4]+ 211.063253 156.3
[M+K]+ 231.992588 142.5
[M+H-H2O]+ 176.026690 129.9
[M+HCOO]- 238.027631 154.2
[M+CH3COO]- 252.043281 150.0
[M+Na-2H]- 214.004096 144.9
[M]+ 193.02888142 139.5
[M]- 193.02997858 139.5
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