CID 44558595

5-chloro-1h-indazole-3-carbonitrile

Structural Information

Molecular Formula
C8H4ClN3
SMILES
C1=CC2=C(C=C1Cl)C(=NN2)C#N
InChI
InChI=1S/C8H4ClN3/c9-5-1-2-7-6(3-5)8(4-10)12-11-7/h1-3H,(H,11,12)
InChIKey
QMIBICADHKQAJK-UHFFFAOYSA-N
Compound name
5-chloro-1H-indazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

261
Patents

177.00937 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.01665 134.0
[M+Na]+ 199.99859 148.5
[M+NH4]+ 195.04319 139.7
[M+K]+ 215.97253 139.7
[M-H]- 176.00209 128.2
[M+Na-2H]- 197.98404 138.7
[M]+ 177.00882 133.9
[M]- 177.00992 133.9
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