CID 113559081

7-bromo-1-cyclopentyl-6-fluoro-1,2,3,4-tetrahydroquinoxaline

Structural Information

Molecular Formula
C13H16BrFN2
SMILES
C1CCC(C1)N2CCNC3=CC(=C(C=C32)Br)F
InChI
InChI=1S/C13H16BrFN2/c14-10-7-13-12(8-11(10)15)16-5-6-17(13)9-3-1-2-4-9/h7-9,16H,1-6H2
InChIKey
ROJMLWGOWDZIPC-UHFFFAOYSA-N
Compound name
6-bromo-4-cyclopentyl-7-fluoro-2,3-dihydro-1H-quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0481 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.05538 165.4
[M+Na]+ 321.03732 175.2
[M-H]- 297.04082 169.7
[M+NH4]+ 316.08192 183.9
[M+K]+ 337.01126 162.3
[M+H-H2O]+ 281.04536 163.5
[M+HCOO]- 343.04630 177.9
[M+CH3COO]- 357.06195 177.1
[M+Na-2H]- 319.02277 167.6
[M]+ 298.04755 176.4
[M]- 298.04865 176.4
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.