CID 3476861

3-[(4-fluorophenyl)formamido]propanoic acid

Structural Information

Molecular Formula
C10H10FNO3
SMILES
C1=CC(=CC=C1C(=O)NCCC(=O)O)F
InChI
InChI=1S/C10H10FNO3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6H2,(H,12,15)(H,13,14)
InChIKey
PJBOGHUSZFFYNT-UHFFFAOYSA-N
Compound name
3-[(4-fluorobenzoyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

211.06447 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07175 143.0
[M+Na]+ 234.05369 149.6
[M-H]- 210.05719 144.0
[M+NH4]+ 229.09829 160.6
[M+K]+ 250.02763 147.4
[M+H-H2O]+ 194.06173 136.0
[M+HCOO]- 256.06267 164.8
[M+CH3COO]- 270.07832 185.9
[M+Na-2H]- 232.03914 146.7
[M]+ 211.06392 141.4
[M]- 211.06502 141.4
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

patents stripe