CID 56806841

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

Structural Information

Molecular Formula
C9H11FN2
SMILES
CN1CCNC2=C1C=C(C=C2)F
InChI
InChI=1S/C9H11FN2/c1-12-5-4-11-8-3-2-7(10)6-9(8)12/h2-3,6,11H,4-5H2,1H3
InChIKey
OKDVTYCZSDCCHA-UHFFFAOYSA-N
Compound name
6-fluoro-4-methyl-2,3-dihydro-1H-quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

166.09062 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.09790 134.8
[M+Na]+ 189.07984 147.6
[M+NH4]+ 184.12444 143.3
[M+K]+ 205.05378 140.5
[M-H]- 165.08334 135.3
[M+Na-2H]- 187.06529 140.4
[M]+ 166.09007 136.6
[M]- 166.09117 136.6
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

patents stripe