CID 75356195

4-cyclopropyl-5,6-difluoro-1,2,3,4-tetrahydroquinoxalin-2-one

Structural Information

Molecular Formula
C11H10F2N2O
SMILES
C1CC1N2CC(=O)NC3=C2C(=C(C=C3)F)F
InChI
InChI=1S/C11H10F2N2O/c12-7-3-4-8-11(10(7)13)15(6-1-2-6)5-9(16)14-8/h3-4,6H,1-2,5H2,(H,14,16)
InChIKey
MGXYIZXEZNDESJ-UHFFFAOYSA-N
Compound name
4-cyclopropyl-5,6-difluoro-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.07613 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08341 150.3
[M+Na]+ 247.06535 161.7
[M-H]- 223.06885 152.2
[M+NH4]+ 242.10995 161.8
[M+K]+ 263.03929 155.1
[M+H-H2O]+ 207.07339 140.7
[M+HCOO]- 269.07433 165.8
[M+CH3COO]- 283.08998 161.2
[M+Na-2H]- 245.05080 154.0
[M]+ 224.07558 147.2
[M]- 224.07668 147.2
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.