CID 70827781

887145-79-1

Structural Information

Molecular Formula
C9H8ClN3O
SMILES
C1=CC2=NNC(=C2C=C1Cl)CC(=O)N
InChI
InChI=1S/C9H8ClN3O/c10-5-1-2-7-6(3-5)8(13-12-7)4-9(11)14/h1-3H,4H2,(H2,11,14)(H,12,13)
InChIKey
VIPNABFFDOZEIL-UHFFFAOYSA-N
Compound name
2-(5-chloro-2H-indazol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

209.03558 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.04286 141.5
[M+Na]+ 232.02480 152.6
[M-H]- 208.02830 142.4
[M+NH4]+ 227.06940 160.5
[M+K]+ 247.99874 146.9
[M+H-H2O]+ 192.03284 135.3
[M+HCOO]- 254.03378 159.2
[M+CH3COO]- 268.04943 154.5
[M+Na-2H]- 230.01025 147.1
[M]+ 209.03503 142.7
[M]- 209.03613 142.7
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

patents stripe