CID 54726

M.g. 18767

Structural Information

Molecular Formula
C15H11ClN2O2
SMILES
C1=CC2=CN(N=C2C=C1)C3=C(C=C(C=C3)CC(=O)O)Cl
InChI
InChI=1S/C15H11ClN2O2/c16-12-7-10(8-15(19)20)5-6-14(12)18-9-11-3-1-2-4-13(11)17-18/h1-7,9H,8H2,(H,19,20)
InChIKey
KNYSNPGXHLFGMD-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-indazol-2-ylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0509 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.058176 161.7
[M+Na]+ 309.040118 173.1
[M-H]- 285.043624 166.3
[M+NH4]+ 304.084723 177.9
[M+K]+ 325.014058 166.5
[M+H-H2O]+ 269.048160 153.9
[M+HCOO]- 331.049101 178.5
[M+CH3COO]- 345.064751 174.0
[M+Na-2H]- 307.025566 166.2
[M]+ 286.05035142 166.1
[M]- 286.05144858 166.1
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.

Patent stripe

No patent data available for this compound.