CID 43556067

3-(4-bromophenyl)-1,2,4-thiadiazol-5-amine

Structural Information

Molecular Formula

C₈H₆BrN₃S

SMILES

C1=CC(=CC=C1C2=NSC(=N2)N)Br

InChI

InChI=1S/C8H6BrN3S/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7/h1-4H,(H2,10,11,12)

InChIKey

NMTGWXGNMOHUOO-UHFFFAOYSA-N

Compound name

3-(4-bromophenyl)-1,2,4-thiadiazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 254.94658 Da
Monoisotopic Mass: 2.0
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]+	255.95386	138.7
[M+Na]+	277.93580	142.5
[M+NH4]+	272.98040	144.1
[M+K]+	293.90974	142.3
[M-H]-	253.93930	140.9
[M+Na-2H]-	275.92125	143.8
[M]+	254.94603	139.0
[M]-	254.94713	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe