CID 3046734

Sl 75,045

Structural Information

Molecular Formula
C17H15F2NO3
SMILES
C1=CC(=CC=C1C(=NCCCC(=O)O)C2=C(C=CC(=C2)F)O)F
InChI
InChI=1S/C17H15F2NO3/c18-12-5-3-11(4-6-12)17(20-9-1-2-16(22)23)14-10-13(19)7-8-15(14)21/h3-8,10,21H,1-2,9H2,(H,22,23)
InChIKey
XPDUQAPRHCMWCZ-UHFFFAOYSA-N
Compound name
4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.102 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.10928 171.3
[M+Na]+ 342.09122 178.0
[M-H]- 318.09472 174.1
[M+NH4]+ 337.13582 184.4
[M+K]+ 358.06516 173.2
[M+H-H2O]+ 302.09926 161.6
[M+HCOO]- 364.10020 191.0
[M+CH3COO]- 378.11585 208.0
[M+Na-2H]- 340.07667 171.9
[M]+ 319.10145 169.4
[M]- 319.10255 169.4
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.