CID 19708545

1h-indazole-5-thiol

Structural Information

Molecular Formula
C7H6N2S
SMILES
C1=CC2=C(C=C1S)C=NN2
InChI
InChI=1S/C7H6N2S/c10-6-1-2-7-5(3-6)4-8-9-7/h1-4,10H,(H,8,9)
InChIKey
ZISLUPNINLZWRT-UHFFFAOYSA-N
Compound name
1H-indazole-5-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

150.02516 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.03244 125.1
[M+Na]+ 173.01438 137.4
[M-H]- 149.01788 127.1
[M+NH4]+ 168.05898 147.2
[M+K]+ 188.98832 133.4
[M+H-H2O]+ 133.02242 119.6
[M+HCOO]- 195.02336 143.5
[M+CH3COO]- 209.03901 139.8
[M+Na-2H]- 170.99983 131.4
[M]+ 150.02461 127.5
[M]- 150.02571 127.5
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