CID 13035313

5-bromo-6-fluoro-2-methylquinoline

Structural Information

Molecular Formula
C10H7BrFN
SMILES
CC1=NC2=C(C=C1)C(=C(C=C2)F)Br
InChI
InChI=1S/C10H7BrFN/c1-6-2-3-7-9(13-6)5-4-8(12)10(7)11/h2-5H,1H3
InChIKey
XLZHFJXJPRVQPI-UHFFFAOYSA-N
Compound name
5-bromo-6-fluoro-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

238.9746 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.98188 141.4
[M+Na]+ 261.96382 155.5
[M-H]- 237.96732 146.8
[M+NH4]+ 257.00842 163.2
[M+K]+ 277.93776 143.7
[M+H-H2O]+ 221.97186 140.8
[M+HCOO]- 283.97280 160.9
[M+CH3COO]- 297.98845 157.0
[M+Na-2H]- 259.94927 150.4
[M]+ 238.97405 159.7
[M]- 238.97515 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe