CID 6510077

81892-41-3

Structural Information

Molecular Formula
C11H11FN2O3
SMILES
COC(=O)N1CC/C(=N/O)/C2=C1C=CC(=C2)F
InChI
InChI=1S/C11H11FN2O3/c1-17-11(15)14-5-4-9(13-16)8-6-7(12)2-3-10(8)14/h2-3,6,16H,4-5H2,1H3/b13-9-
InChIKey
IXZVOELNROZATN-LCYFTJDESA-N
Compound name
methyl (4Z)-6-fluoro-4-hydroxyimino-2,3-dihydroquinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

238.07536 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08264 148.6
[M+Na]+ 261.06458 156.8
[M-H]- 237.06808 150.6
[M+NH4]+ 256.10918 166.0
[M+K]+ 277.03852 154.4
[M+H-H2O]+ 221.07262 140.7
[M+HCOO]- 283.07356 168.2
[M+CH3COO]- 297.08921 192.7
[M+Na-2H]- 259.05003 153.7
[M]+ 238.07481 147.1
[M]- 238.07591 147.1
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