CID 43453282

1155000-06-8

Structural Information

Molecular Formula
C9H9FN2O
SMILES
C1CC(=O)NC2=CC(=C(C=C21)N)F
InChI
InChI=1S/C9H9FN2O/c10-6-4-8-5(3-7(6)11)1-2-9(13)12-8/h3-4H,1-2,11H2,(H,12,13)
InChIKey
UGMNWHDIBDUYRC-UHFFFAOYSA-N
Compound name
6-amino-7-fluoro-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

180.06989 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.077166 135.1
[M+Na]+ 203.059108 143.9
[M-H]- 179.062614 135.4
[M+NH4]+ 198.103713 154.0
[M+K]+ 219.033048 139.6
[M+H-H2O]+ 163.067150 128.1
[M+HCOO]- 225.068091 153.6
[M+CH3COO]- 239.083741 181.1
[M+Na-2H]- 201.044556 140.8
[M]+ 180.06934142 128.7
[M]- 180.07043858 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