CID 210673

Poli 63

Structural Information

Molecular Formula
C14H13ClN2O2
SMILES
C1CC2=C(C1)N(N=C2CC(=O)O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H13ClN2O2/c15-9-4-6-10(7-5-9)17-13-3-1-2-11(13)12(16-17)8-14(18)19/h4-7H,1-3,8H2,(H,18,19)
InChIKey
XWEWKRMDHSSBML-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.06656 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07384 162.4
[M+Na]+ 299.05578 172.0
[M-H]- 275.05928 166.7
[M+NH4]+ 294.10038 180.7
[M+K]+ 315.02972 166.4
[M+H-H2O]+ 259.06382 155.4
[M+HCOO]- 321.06476 177.5
[M+CH3COO]- 335.08041 174.2
[M+Na-2H]- 297.04123 162.6
[M]+ 276.06601 164.4
[M]- 276.06711 164.4
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.