CID 54595247

2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoic acid

Structural Information

Molecular Formula
C11H10FNO3
SMILES
C1CC(=O)N(C1)C2=CC(=C(C=C2)F)C(=O)O
InChI
InChI=1S/C11H10FNO3/c12-9-4-3-7(6-8(9)11(15)16)13-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,15,16)
InChIKey
NKHUCLYOABFQOJ-UHFFFAOYSA-N
Compound name
2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

223.06447 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07175 149.3
[M+Na]+ 246.05369 159.5
[M+NH4]+ 241.09829 155.5
[M+K]+ 262.02763 156.5
[M-H]- 222.05719 149.0
[M+Na-2H]- 244.03914 153.3
[M]+ 223.06392 150.2
[M]- 223.06502 150.2
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