CID 170664

42520-76-3

Structural Information

Molecular Formula

C₆H₃ClN₂OS

SMILES

C1=C(SC(=C1)Cl)C(=NO)C#N

InChI

InChI=1S/C6H3ClN2OS/c7-6-2-1-5(11-6)4(3-8)9-10/h1-2,10H

InChIKey

OYNBTUUDEASXIH-UHFFFAOYSA-N

Compound name

2-(5-chlorothiophen-2-yl)-2-hydroxyiminoacetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 185.96545 Da
Monoisotopic Mass: 2.8
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]+	186.97273	143.6
[M+Na]+	208.95467	155.4
[M-H]-	184.95817	148.1
[M+NH4]+	203.99927	164.2
[M+K]+	224.92861	151.4
[M+H-H2O]+	168.96271	132.5
[M+HCOO]-	230.96365	157.0
[M+CH3COO]-	244.97930	191.0
[M+Na-2H]-	206.94012	145.2
[M]+	185.96490	141.5
[M]-	185.96600	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe