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

29
Patents

150.02516 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.032436 125.1
[M+Na]+ 173.014378 137.4
[M-H]- 149.017884 127.1
[M+NH4]+ 168.058983 147.2
[M+K]+ 188.988318 133.4
[M+H-H2O]+ 133.022420 119.6
[M+HCOO]- 195.023361 143.5
[M+CH3COO]- 209.039011 139.8
[M+Na-2H]- 170.999826 131.4
[M]+ 150.02461142 127.5
[M]- 150.02570858 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