CID 135566317

3-fluoro-4-hydroxybenzaldehyde o-(cyclohexylcarbonyl)oxime

Structural Information

Molecular Formula
C14H16FNO3
SMILES
C1CCC(CC1)C(=O)O/N=C/C2=CC(=C(C=C2)O)F
InChI
InChI=1S/C14H16FNO3/c15-12-8-10(6-7-13(12)17)9-16-19-14(18)11-4-2-1-3-5-11/h6-9,11,17H,1-5H2/b16-9+
InChIKey
NPVNUGQNVVMJJP-CXUHLZMHSA-N
Compound name
[(E)-(3-fluoro-4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

265.11142 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11870 158.4
[M+Na]+ 288.10064 163.2
[M-H]- 264.10414 163.0
[M+NH4]+ 283.14524 174.2
[M+K]+ 304.07458 160.5
[M+H-H2O]+ 248.10868 149.8
[M+HCOO]- 310.10962 178.5
[M+CH3COO]- 324.12527 197.0
[M+Na-2H]- 286.08609 160.7
[M]+ 265.11087 154.3
[M]- 265.11197 154.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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