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]+ 210.042856 141.5
[M+Na]+ 232.024798 152.6
[M-H]- 208.028304 142.4
[M+NH4]+ 227.069403 160.5
[M+K]+ 247.998738 146.9
[M+H-H2O]+ 192.032840 135.3
[M+HCOO]- 254.033781 159.2
[M+CH3COO]- 268.049431 154.5
[M+Na-2H]- 230.010246 147.1
[M]+ 209.03503142 142.7
[M]- 209.03612858 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