CID 165660968

4-bromo-8-ethyl-6-fluoroquinoline

Structural Information

Molecular Formula
C11H9BrFN
SMILES
CCC1=CC(=CC2=C(C=CN=C12)Br)F
InChI
InChI=1S/C11H9BrFN/c1-2-7-5-8(13)6-9-10(12)3-4-14-11(7)9/h3-6H,2H2,1H3
InChIKey
WICDTCBTLUMUTO-UHFFFAOYSA-N
Compound name
4-bromo-8-ethyl-6-fluoroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.99023 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.99751 146.2
[M+Na]+ 275.97945 159.9
[M-H]- 251.98295 151.4
[M+NH4]+ 271.02405 167.4
[M+K]+ 291.95339 147.8
[M+H-H2O]+ 235.98749 145.3
[M+HCOO]- 297.98843 165.3
[M+CH3COO]- 312.00408 193.3
[M+Na-2H]- 273.96490 154.6
[M]+ 252.98968 164.8
[M]- 252.99078 164.8
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.