CID 4962848

4-chloro-3-(2-oxopyrrolidin-1-yl)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
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

literature stripe

Patent stripe

No patent data available for this compound.