CID 21516164

3-amino-5-chloro-1h-indazole

Structural Information

Molecular Formula
C7H6ClN3
SMILES
C1=CC2=C(C=C1Cl)C(=NN2)N
InChI
InChI=1S/C7H6ClN3/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H3,9,10,11)
InChIKey
QCSQTZOPSNFNNX-UHFFFAOYSA-N
Compound name
5-chloro-1H-indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

167.02502 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.03230 128.5
[M+Na]+ 190.01424 142.8
[M+NH4]+ 185.05884 137.7
[M+K]+ 205.98818 137.7
[M-H]- 166.01774 130.4
[M+Na-2H]- 187.99969 135.7
[M]+ 167.02447 131.3
[M]- 167.02557 131.3
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