CID 167427

15777-41-0

Structural Information

Molecular Formula

C₇H₁₀ClN₃OS

SMILES

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

InChI

InChI=1S/C7H10ClN3OS/c1-4(2)6-10-11-7(13-6)9-5(12)3-8/h4H,3H2,1-2H3,(H,9,11,12)

InChIKey

AARFUCMXVZRFBG-UHFFFAOYSA-N

Compound name

2-chloro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 219.02332 Da
Monoisotopic Mass: 1.7
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]+	220.03060	145.0
[M+Na]+	242.01254	153.9
[M-H]-	218.01604	146.7
[M+NH4]+	237.05714	163.9
[M+K]+	257.98648	150.7
[M+H-H2O]+	202.02058	138.8
[M+HCOO]-	264.02152	157.8
[M+CH3COO]-	278.03717	186.4
[M+Na-2H]-	239.99799	145.4
[M]+	219.02277	148.9
[M]-	219.02387	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe