CID 53416461

959986-17-5

Structural Information

Molecular Formula

C₉H₇BrN₂S

SMILES

C1=CC(=CC(=C1)Br)C2=CN=C(S2)N

InChI

InChI=1S/C9H7BrN2S/c10-7-3-1-2-6(4-7)8-5-12-9(11)13-8/h1-5H,(H2,11,12)

InChIKey

ZBUNAYPJPKAVDZ-UHFFFAOYSA-N

Compound name

5-(3-bromophenyl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 253.95132 Da
Monoisotopic Mass: 3.0
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]+	254.95860	138.4
[M+Na]+	276.94054	152.3
[M-H]-	252.94404	147.2
[M+NH4]+	271.98514	160.3
[M+K]+	292.91448	139.7
[M+H-H2O]+	236.94858	138.3
[M+HCOO]-	298.94952	157.3
[M+CH3COO]-	312.96517	154.4
[M+Na-2H]-	274.92599	143.4
[M]+	253.95077	157.4
[M]-	253.95187	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe