CID 313444

3-amino-4-chloroindazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

9
References

86
Patents

167.02502 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.032296 129.9
[M+Na]+ 190.014238 142.0
[M-H]- 166.017744 130.8
[M+NH4]+ 185.058843 150.8
[M+K]+ 205.988178 136.3
[M+H-H2O]+ 150.022280 124.0
[M+HCOO]- 212.023221 148.8
[M+CH3COO]- 226.038871 143.9
[M+Na-2H]- 187.999686 137.7
[M]+ 167.02447142 130.2
[M]- 167.02556858 130.2
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