CID 6510081

6-fluoro-4-oximino-1-propionyl-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C12H13FN2O2
SMILES
CCC(=O)N1CC/C(=N/O)/C2=C1C=CC(=C2)F
InChI
InChI=1S/C12H13FN2O2/c1-2-12(16)15-6-5-10(14-17)9-7-8(13)3-4-11(9)15/h3-4,7,17H,2,5-6H2,1H3/b14-10-
InChIKey
FEGWEZYQHKCBKL-UVTDQMKNSA-N
Compound name
1-[(4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

236.0961 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10338 150.3
[M+Na]+ 259.08532 158.1
[M-H]- 235.08882 152.1
[M+NH4]+ 254.12992 167.8
[M+K]+ 275.05926 154.8
[M+H-H2O]+ 219.09336 142.3
[M+HCOO]- 281.09430 169.3
[M+CH3COO]- 295.10995 194.2
[M+Na-2H]- 257.07077 154.7
[M]+ 236.09555 147.7
[M]- 236.09665 147.7
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