CID 45108354

6-bromo-5,7-difluoroquinoline

Structural Information

Molecular Formula
C9H4BrF2N
SMILES
C1=CC2=C(C(=C(C=C2N=C1)F)Br)F
InChI
InChI=1S/C9H4BrF2N/c10-8-6(11)4-7-5(9(8)12)2-1-3-13-7/h1-4H
InChIKey
DUAWZZRBLJDTQC-UHFFFAOYSA-N
Compound name
6-bromo-5,7-difluoroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

242.94952 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.95680 140.9
[M+Na]+ 265.93874 155.4
[M-H]- 241.94224 145.1
[M+NH4]+ 260.98334 162.3
[M+K]+ 281.91268 143.3
[M+H-H2O]+ 225.94678 139.4
[M+HCOO]- 287.94772 159.6
[M+CH3COO]- 301.96337 156.2
[M+Na-2H]- 263.92419 149.7
[M]+ 242.94897 157.7
[M]- 242.95007 157.7
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