CID 340711

219863-71-5

Structural Information

Molecular Formula
C7H6N2S
SMILES
C1=CSC(=C1)C2=CC=NN2
InChI
InChI=1S/C7H6N2S/c1-2-7(10-5-1)6-3-4-8-9-6/h1-5H,(H,8,9)
InChIKey
TVNDPZYOQCCHTJ-UHFFFAOYSA-N
Compound name
5-thiophen-2-yl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

206
Patents

150.02516 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.03244 126.6
[M+Na]+ 173.01438 138.0
[M-H]- 149.01788 131.0
[M+NH4]+ 168.05898 149.0
[M+K]+ 188.98832 134.8
[M+H-H2O]+ 133.02242 120.4
[M+HCOO]- 195.02336 147.5
[M+CH3COO]- 209.03901 141.5
[M+Na-2H]- 170.99983 130.0
[M]+ 150.02461 128.2
[M]- 150.02571 128.2
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