CID 119653

Ethychlozate

Structural Information

Molecular Formula
C11H11ClN2O2
SMILES
CCOC(=O)CC1=C2C=C(C=CC2=NN1)Cl
InChI
InChI=1S/C11H11ClN2O2/c1-2-16-11(15)6-10-8-5-7(12)3-4-9(8)13-14-10/h3-5H,2,6H2,1H3,(H,13,14)
InChIKey
GLPZEHFBLBYFHN-UHFFFAOYSA-N
Compound name
ethyl 2-(5-chloro-2H-indazol-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

2817
Patents

238.0509 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05818 148.9
[M+Na]+ 261.04012 162.6
[M+NH4]+ 256.08472 156.5
[M+K]+ 277.01406 157.7
[M-H]- 237.04362 149.1
[M+Na-2H]- 259.02557 154.3
[M]+ 238.05035 151.1
[M]- 238.05145 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

patents stripe