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 147.7
[M+Na]+ 248.06934 153.8
[M-H]- 224.07284 148.5
[M+NH4]+ 243.11394 164.6
[M+K]+ 264.04328 151.4
[M+H-H2O]+ 208.07738 140.4
[M+HCOO]- 270.07832 169.1
[M+CH3COO]- 284.09397 188.9
[M+Na-2H]- 246.05479 150.8
[M]+ 225.07957 146.4
[M]- 225.08067 146.4
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.