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]+ 212.02730 138.1
[M+Na]+ 234.00924 150.2
[M-H]- 210.01274 140.6
[M+NH4]+ 229.05384 158.2
[M+K]+ 249.98318 145.4
[M+H-H2O]+ 194.01728 131.4
[M+HCOO]- 256.01822 155.5
[M+CH3COO]- 270.03387 186.3
[M+Na-2H]- 231.99469 145.9
[M]+ 211.01947 141.2
[M]- 211.02057 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.