CID 75355348

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

Structural Information

Molecular Formula
C11H15FN2
SMILES
CCCN1CCNC2=C1C=CC(=C2)F
InChI
InChI=1S/C11H15FN2/c1-2-6-14-7-5-13-10-8-9(12)3-4-11(10)14/h3-4,8,13H,2,5-7H2,1H3
InChIKey
ZNHFWPJEBLWQJJ-UHFFFAOYSA-N
Compound name
7-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]+ 195.12921 143.2
[M+Na]+ 217.11115 150.8
[M-H]- 193.11465 141.8
[M+NH4]+ 212.15575 160.6
[M+K]+ 233.08509 146.2
[M+H-H2O]+ 177.11919 134.9
[M+HCOO]- 239.12013 158.9
[M+CH3COO]- 253.13578 183.1
[M+Na-2H]- 215.09660 149.1
[M]+ 194.12138 138.6
[M]- 194.12248 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.