CID 2757679

138300-59-1

Structural Information

Molecular Formula

C₆H₇ClN₂S

SMILES

C1CC1C2=NN=C(S2)CCl

InChI

InChI=1S/C6H7ClN2S/c7-3-5-8-9-6(10-5)4-1-2-4/h4H,1-3H2

InChIKey

VDUGMUQOYNINHU-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-5-cyclopropyl-1,3,4-thiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 120
Patents: 174.00185 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]+	175.00913	131.3
[M+Na]+	196.99107	143.4
[M-H]-	172.99457	136.5
[M+NH4]+	192.03567	147.4
[M+K]+	212.96501	138.9
[M+H-H2O]+	156.99911	124.6
[M+HCOO]-	219.00005	145.8
[M+CH3COO]-	233.01570	144.9
[M+Na-2H]-	194.97652	134.0
[M]+	174.00130	136.6
[M]-	174.00240	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe