CID 28604177

3-fluoro-4-pyrrolidinobenzoic acid

Structural Information

Molecular Formula
C11H12FNO2
SMILES
C1CCN(C1)C2=C(C=C(C=C2)C(=O)O)F
InChI
InChI=1S/C11H12FNO2/c12-9-7-8(11(14)15)3-4-10(9)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKey
HXPJLYBFMBIXKY-UHFFFAOYSA-N
Compound name
3-fluoro-4-pyrrolidin-1-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

209.0852 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09248 146.9
[M+Na]+ 232.07442 157.2
[M+NH4]+ 227.11902 154.0
[M+K]+ 248.04836 153.6
[M-H]- 208.07792 147.4
[M+Na-2H]- 230.05987 151.8
[M]+ 209.08465 148.1
[M]- 209.08575 148.1
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