CID 70983354

7-bromo-8-fluoro-2-methylquinoline

Structural Information

Molecular Formula
C10H7BrFN
SMILES
CC1=NC2=C(C=C1)C=CC(=C2F)Br
InChI
InChI=1S/C10H7BrFN/c1-6-2-3-7-4-5-8(11)9(12)10(7)13-6/h2-5H,1H3
InChIKey
MLJLUBLVRXPCKT-UHFFFAOYSA-N
Compound name
7-bromo-8-fluoro-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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

No literature data available for this compound.

Patent stripe

patents stripe