CID 117006595

4-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoxalin-2-one

Structural Information

Molecular Formula
C14H11FN2O
SMILES
C1C(=O)NC2=CC=CC=C2N1C3=CC=C(C=C3)F
InChI
InChI=1S/C14H11FN2O/c15-10-5-7-11(8-6-10)17-9-14(18)16-12-3-1-2-4-13(12)17/h1-8H,9H2,(H,16,18)
InChIKey
HLODISACBOFSFN-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.08554 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09282 153.0
[M+Na]+ 265.07476 161.7
[M-H]- 241.07826 155.2
[M+NH4]+ 260.11936 168.0
[M+K]+ 281.04870 155.5
[M+H-H2O]+ 225.08280 143.3
[M+HCOO]- 287.08374 169.4
[M+CH3COO]- 301.09939 164.0
[M+Na-2H]- 263.06021 159.0
[M]+ 242.08499 147.9
[M]- 242.08609 147.9
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.