CID 606925

62524-21-4

Structural Information

Molecular Formula

C₉H₇ClN₂OS

SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NN)Cl

InChI

InChI=1S/C9H7ClN2OS/c10-7-5-3-1-2-4-6(5)14-8(7)9(13)12-11/h1-4H,11H2,(H,12,13)

InChIKey

HSEDHPBSCKIDQU-UHFFFAOYSA-N

Compound name

3-chloro-1-benzothiophene-2-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 18
Patents: 225.99677 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	227.00405	144.2
[M+Na]+	248.98599	155.2
[M-H]-	224.98949	149.5
[M+NH4]+	244.03059	166.3
[M+K]+	264.95993	149.8
[M+H-H2O]+	208.99403	139.9
[M+HCOO]-	270.99497	161.8
[M+CH3COO]-	285.01062	158.1
[M+Na-2H]-	246.97144	148.0
[M]+	225.99622	148.0
[M]-	225.99732	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe