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

1
Patents

252.09102 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09830 153.3
[M+Na]+ 275.08024 161.0
[M-H]- 251.08374 155.1
[M+NH4]+ 270.12484 170.1
[M+K]+ 291.05418 158.4
[M+H-H2O]+ 235.08828 145.2
[M+HCOO]- 297.08922 172.5
[M+CH3COO]- 311.10487 195.7
[M+Na-2H]- 273.06569 157.8
[M]+ 252.09047 152.1
[M]- 252.09157 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