CID 75525706

4-chloro-8-methoxy-3-methylquinoline

Structural Information

Molecular Formula
C11H10ClNO
SMILES
CC1=CN=C2C(=C1Cl)C=CC=C2OC
InChI
InChI=1S/C11H10ClNO/c1-7-6-13-11-8(10(7)12)4-3-5-9(11)14-2/h3-6H,1-2H3
InChIKey
UBQXDVNXLJEVKN-UHFFFAOYSA-N
Compound name
4-chloro-8-methoxy-3-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.04509 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05237 140.3
[M+Na]+ 230.03431 152.0
[M-H]- 206.03781 144.1
[M+NH4]+ 225.07891 160.7
[M+K]+ 246.00825 147.4
[M+H-H2O]+ 190.04235 134.5
[M+HCOO]- 252.04329 158.4
[M+CH3COO]- 266.05894 186.6
[M+Na-2H]- 228.01976 148.2
[M]+ 207.04454 144.9
[M]- 207.04564 144.9
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.