CID 14370533

Ethyl 4-(chloromethyl)-1,2,3-thiadiazole-5-carboxylate

Structural Information

Molecular Formula

C₆H₇ClN₂O₂S

SMILES

CCOC(=O)C1=C(N=NS1)CCl

InChI

InChI=1S/C6H7ClN2O2S/c1-2-11-6(10)5-4(3-7)8-9-12-5/h2-3H2,1H3

InChIKey

HYLBYNFARGMFNU-UHFFFAOYSA-N

Compound name

ethyl 4-(chloromethyl)thiadiazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 205.99167 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]+	206.99895	141.4
[M+Na]+	228.98089	152.8
[M+NH4]+	224.02549	149.1
[M+K]+	244.95483	147.0
[M-H]-	204.98439	141.0
[M+Na-2H]-	226.96634	145.4
[M]+	205.99112	143.4
[M]-	205.99222	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe