CID 6510080

81892-44-6

Structural Information

Molecular Formula
C12H13FN2O3
SMILES
CCOC(=O)N1CC/C(=N/O)/C2=C1C=CC(=C2)F
InChI
InChI=1S/C12H13FN2O3/c1-2-18-12(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
HVADSRDRNLXETI-UVTDQMKNSA-N
Compound name
ethyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

252.09102 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.098296 153.3
[M+Na]+ 275.080238 161.0
[M-H]- 251.083744 155.1
[M+NH4]+ 270.124843 170.1
[M+K]+ 291.054178 158.4
[M+H-H2O]+ 235.088280 145.2
[M+HCOO]- 297.089221 172.5
[M+CH3COO]- 311.104871 195.7
[M+Na-2H]- 273.065686 157.8
[M]+ 252.09047142 152.1
[M]- 252.09156858 152.1
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