CID 466857

2-sulfanylbenzohydrazide

Structural Information

Molecular Formula
C7H8N2OS
SMILES
C1=CC=C(C(=C1)C(=O)NN)S
InChI
InChI=1S/C7H8N2OS/c8-9-7(10)5-3-1-2-4-6(5)11/h1-4,11H,8H2,(H,9,10)
InChIKey
HEEFKHNBQNJSOD-UHFFFAOYSA-N
Compound name
2-sulfanylbenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

168.03574 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04302 132.2
[M+Na]+ 191.02496 139.8
[M-H]- 167.02846 135.9
[M+NH4]+ 186.06956 152.4
[M+K]+ 206.99890 137.0
[M+H-H2O]+ 151.03300 126.1
[M+HCOO]- 213.03394 152.7
[M+CH3COO]- 227.04959 180.6
[M+Na-2H]- 189.01041 136.0
[M]+ 168.03519 131.3
[M]- 168.03629 131.3
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