CID 519437

175135-07-6

Structural Information

Molecular Formula
C9H8N2OS
SMILES
C1=CC=C2C(=C1)C=C(S2)C(=O)NN
InChI
InChI=1S/C9H8N2OS/c10-11-9(12)8-5-6-3-1-2-4-7(6)13-8/h1-5H,10H2,(H,11,12)
InChIKey
ZXKPFIRPUUAAPQ-UHFFFAOYSA-N
Compound name
1-benzothiophene-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

54
Patents

192.03574 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04302 137.2
[M+Na]+ 215.02496 148.2
[M+NH4]+ 210.06956 146.7
[M+K]+ 230.99890 142.1
[M-H]- 191.02846 140.6
[M+Na-2H]- 213.01041 143.5
[M]+ 192.03519 140.0
[M]- 192.03629 140.0
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