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

29
Patents

166.09062 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.097896 134.0
[M+Na]+ 189.079838 142.5
[M-H]- 165.083344 133.0
[M+NH4]+ 184.124443 152.6
[M+K]+ 205.053778 138.4
[M+H-H2O]+ 149.087880 126.2
[M+HCOO]- 211.088821 150.4
[M+CH3COO]- 225.104471 146.0
[M+Na-2H]- 187.065286 141.0
[M]+ 166.09007142 128.7
[M]- 166.09116858 128.7
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