CID 16773099

1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C12H11Cl2NO3
SMILES
C1CC(N(C1)C(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C12H11Cl2NO3/c13-8-4-7(5-9(14)6-8)11(16)15-3-1-2-10(15)12(17)18/h4-6,10H,1-3H2,(H,17,18)
InChIKey
RANFRUCLCQSCQN-UHFFFAOYSA-N
Compound name
1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0116 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.01888 159.4
[M+Na]+ 310.00082 168.1
[M-H]- 286.00432 163.1
[M+NH4]+ 305.04542 176.2
[M+K]+ 325.97476 162.6
[M+H-H2O]+ 270.00886 154.1
[M+HCOO]- 332.00980 168.9
[M+CH3COO]- 346.02545 194.0
[M+Na-2H]- 307.98627 158.1
[M]+ 287.01105 160.4
[M]- 287.01215 160.4
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

No patent data available for this compound.