CID 16769827

4-[(4-fluorophenyl)formamido]butanoic acid

Structural Information

Molecular Formula
C11H12FNO3
SMILES
C1=CC(=CC=C1C(=O)NCCCC(=O)O)F
InChI
InChI=1S/C11H12FNO3/c12-9-5-3-8(4-6-9)11(16)13-7-1-2-10(14)15/h3-6H,1-2,7H2,(H,13,16)(H,14,15)
InChIKey
KUORYIVIRXDREX-UHFFFAOYSA-N
Compound name
4-[(4-fluorobenzoyl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.08012 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08740 149.3
[M+Na]+ 248.06934 158.3
[M+NH4]+ 243.11394 154.9
[M+K]+ 264.04328 153.7
[M-H]- 224.07284 148.3
[M+Na-2H]- 246.05479 153.1
[M]+ 225.07957 149.8
[M]- 225.08067 149.8
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.