CID 49768605

Ethyl (6,7-difluoro-1,4-dioxido-3-phenylquinoxalin-2-yl)acetate

Structural Information

Molecular Formula
C18H14F2N2O4
SMILES
CCOC(=O)CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])F)F)C3=CC=CC=C3
InChI
InChI=1S/C18H14F2N2O4/c1-2-26-17(23)10-16-18(11-6-4-3-5-7-11)22(25)15-9-13(20)12(19)8-14(15)21(16)24/h3-9H,2,10H2,1H3
InChIKey
FPUGKMDXHKHKCT-UHFFFAOYSA-N
Compound name
ethyl 2-(6,7-difluoro-1-oxido-4-oxo-3-phenylquinoxalin-4-ium-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.09216 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.09944 181.7
[M+Na]+ 383.08138 191.8
[M-H]- 359.08488 183.7
[M+NH4]+ 378.12598 191.8
[M+K]+ 399.05532 181.3
[M+H-H2O]+ 343.08942 174.7
[M+HCOO]- 405.09036 198.3
[M+CH3COO]- 419.10601 206.3
[M+Na-2H]- 381.06683 185.8
[M]+ 360.09161 181.5
[M]- 360.09271 181.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.