CID 519437

1-benzothiophene-2-carbohydrazide

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

56
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 136.5
[M+Na]+ 215.02496 146.0
[M-H]- 191.02846 141.5
[M+NH4]+ 210.06956 158.8
[M+K]+ 230.99890 142.3
[M+H-H2O]+ 175.03300 131.0
[M+HCOO]- 237.03394 158.7
[M+CH3COO]- 251.04959 183.8
[M+Na-2H]- 213.01041 141.6
[M]+ 192.03519 137.9
[M]- 192.03629 137.9
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