CID 3067329

M.g. 18822

Structural Information

Molecular Formula
C16H13ClN2O2
SMILES
CC(C1=CC(=C(C=C1)N2C=C3C=CC=CC3=N2)Cl)C(=O)O
InChI
InChI=1S/C16H13ClN2O2/c1-10(16(20)21)11-6-7-15(13(17)8-11)19-9-12-4-2-3-5-14(12)18-19/h2-10H,1H3,(H,20,21)
InChIKey
JHZPUEXHPKHEJJ-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-indazol-2-ylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.06656 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07384 165.8
[M+Na]+ 323.05578 181.6
[M+NH4]+ 318.10038 173.8
[M+K]+ 339.02972 176.0
[M-H]- 299.05928 168.7
[M+Na-2H]- 321.04123 173.6
[M]+ 300.06601 169.2
[M]- 300.06711 169.2
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.