CID 75355349

7-fluoro-1-propyl-1,2,3,4-tetrahydroquinoxaline

Structural Information

Molecular Formula
C11H15FN2
SMILES
CCCN1CCNC2=C1C=C(C=C2)F
InChI
InChI=1S/C11H15FN2/c1-2-6-14-7-5-13-10-4-3-9(12)8-11(10)14/h3-4,8,13H,2,5-7H2,1H3
InChIKey
DZQYKPOWLZNLPX-UHFFFAOYSA-N
Compound name
6-fluoro-4-propyl-2,3-dihydro-1H-quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.12193 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.129206 143.2
[M+Na]+ 217.111148 150.8
[M-H]- 193.114654 141.8
[M+NH4]+ 212.155753 160.6
[M+K]+ 233.085088 146.2
[M+H-H2O]+ 177.119190 134.9
[M+HCOO]- 239.120131 158.9
[M+CH3COO]- 253.135781 183.1
[M+Na-2H]- 215.096596 149.1
[M]+ 194.12138142 138.6
[M]- 194.12247858 138.6
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.