CID 326469

2-chloro-n-(1,3,4-thiadiazol-2-yl)acetamide

Structural Information

Molecular Formula

C₄H₄ClN₃OS

SMILES

C1=NN=C(S1)NC(=O)CCl

InChI

InChI=1S/C4H4ClN3OS/c5-1-3(9)7-4-8-6-2-10-4/h2H,1H2,(H,7,8,9)

InChIKey

ZQMRUOLNPQGIHY-UHFFFAOYSA-N

Compound name

2-chloro-N-(1,3,4-thiadiazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 176.97636 Da
Monoisotopic Mass: 0.5
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]+	177.98364	131.5
[M+Na]+	199.96558	141.2
[M-H]-	175.96908	133.1
[M+NH4]+	195.01018	151.8
[M+K]+	215.93952	138.3
[M+H-H2O]+	159.97362	125.4
[M+HCOO]-	221.97456	146.3
[M+CH3COO]-	235.99021	175.5
[M+Na-2H]-	197.95103	135.0
[M]+	176.97581	134.4
[M]-	176.97691	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe