CID 107629363

8-bromo-5-fluoroquinoline-2-carbonitrile

Structural Information

Molecular Formula
C10H4BrFN2
SMILES
C1=CC2=C(C=CC(=C2N=C1C#N)Br)F
InChI
InChI=1S/C10H4BrFN2/c11-8-3-4-9(12)7-2-1-6(5-13)14-10(7)8/h1-4H
InChIKey
BDRXASYHRHOLHO-UHFFFAOYSA-N
Compound name
8-bromo-5-fluoroquinoline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.9542 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.96148 140.7
[M+Na]+ 272.94342 156.5
[M-H]- 248.94692 143.8
[M+NH4]+ 267.98802 159.5
[M+K]+ 288.91736 143.1
[M+H-H2O]+ 232.95146 133.1
[M+HCOO]- 294.95240 159.0
[M+CH3COO]- 308.96805 154.3
[M+Na-2H]- 270.92887 149.0
[M]+ 249.95365 152.1
[M]- 249.95475 152.1
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.