CID 79017035

4-fluoro-3-(pyrrolidin-1-yl)benzoic acid hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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.

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No literature data available for this compound.

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No patent data available for this compound.