CID 80220741

2-chloro-8-fluoro-5-methoxyquinoline

Structural Information

Molecular Formula
C10H7ClFNO
SMILES
COC1=C2C=CC(=NC2=C(C=C1)F)Cl
InChI
InChI=1S/C10H7ClFNO/c1-14-8-4-3-7(12)10-6(8)2-5-9(11)13-10/h2-5H,1H3
InChIKey
FQSXIMYTYQXDIV-UHFFFAOYSA-N
Compound name
2-chloro-8-fluoro-5-methoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.02002 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.027296 138.1
[M+Na]+ 234.009238 150.2
[M-H]- 210.012744 140.6
[M+NH4]+ 229.053843 158.2
[M+K]+ 249.983178 145.4
[M+H-H2O]+ 194.017280 131.4
[M+HCOO]- 256.018221 155.5
[M+CH3COO]- 270.033871 186.3
[M+Na-2H]- 231.994686 145.9
[M]+ 211.01947142 141.2
[M]- 211.02056858 141.2
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.