CID 3046748

Sl 75,027

Structural Information

Molecular Formula
C17H15ClFNO3
SMILES
C1=CC=C(C(=C1)C(=NCCCC(=O)O)C2=C(C=CC(=C2)F)O)Cl
InChI
InChI=1S/C17H15ClFNO3/c18-14-5-2-1-4-12(14)17(20-9-3-6-16(22)23)13-10-11(19)7-8-15(13)21/h1-2,4-5,7-8,10,21H,3,6,9H2,(H,22,23)
InChIKey
CRPMIMTWNYRBOE-UHFFFAOYSA-N
Compound name
4-[[(2-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.07245 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.07973 173.9
[M+Na]+ 358.06167 181.4
[M-H]- 334.06517 178.0
[M+NH4]+ 353.10627 187.4
[M+K]+ 374.03561 175.3
[M+H-H2O]+ 318.06971 166.1
[M+HCOO]- 380.07065 190.3
[M+CH3COO]- 394.08630 209.0
[M+Na-2H]- 356.04712 174.7
[M]+ 335.07190 175.5
[M]- 335.07300 175.5
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

No patent data available for this compound.