CID 2757923

5-chlorothiophene-2-carboxylic acid hydrazide

Structural Information

Molecular Formula

C₅H₅ClN₂OS

SMILES

C1=C(SC(=C1)Cl)C(=O)NN

InChI

InChI=1S/C5H5ClN2OS/c6-4-2-1-3(10-4)5(9)8-7/h1-2H,7H2,(H,8,9)

InChIKey

WVOBELBQWDRLMM-UHFFFAOYSA-N

Compound name

5-chlorothiophene-2-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 175.98111 Da
Monoisotopic Mass: 1.4
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]+	176.988386	133.5
[M+Na]+	198.970328	142.6
[M-H]-	174.973834	137.4
[M+NH4]+	194.014933	156.0
[M+K]+	214.944268	138.7
[M+H-H2O]+	158.978370	128.9
[M+HCOO]-	220.979311	150.7
[M+CH3COO]-	234.994961	178.5
[M+Na-2H]-	196.955776	135.4
[M]+	175.98056142	134.4
[M]-	175.98165858	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe