CID 15058919

4-chloro-5-nitro-1,3-thiazol-2-ylamine

Structural Information

Molecular Formula

C₃H₂ClN₃O₂S

SMILES

C1(=C(SC(=N1)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C3H2ClN3O2S/c4-1-2(7(8)9)10-3(5)6-1/h(H2,5,6)

InChIKey

CQQXMAUNJJIUJE-UHFFFAOYSA-N

Compound name

4-chloro-5-nitro-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 178.95563 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]+	179.96291	127.9
[M+Na]+	201.94485	139.5
[M+NH4]+	196.98945	136.4
[M+K]+	217.91879	137.1
[M-H]-	177.94835	130.3
[M+Na-2H]-	199.93030	132.6
[M]+	178.95508	130.6
[M]-	178.95618	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe