CID 7130938

4-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid

Structural Information

Molecular Formula
C11H10ClNO3
SMILES
C1CC(=O)N(C1)C2=C(C=CC(=C2)Cl)C(=O)O
InChI
InChI=1S/C11H10ClNO3/c12-7-3-4-8(11(15)16)9(6-7)13-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,15,16)
InChIKey
ZHYKUDYDCHFXRN-UHFFFAOYSA-N
Compound name
4-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.03493 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.04221 149.0
[M+Na]+ 262.02415 161.1
[M+NH4]+ 257.06875 156.4
[M+K]+ 277.99809 157.4
[M-H]- 238.02765 150.5
[M+Na-2H]- 260.00960 154.2
[M]+ 239.03438 151.1
[M]- 239.03548 151.1
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.

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No patent data available for this compound.