CID 12348630

63615-95-2

Structural Information

Molecular Formula

C₉H₇BrN₂S

SMILES

C1=CC=C(C=C1)NC2=NC=C(S2)Br

InChI

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

InChIKey

GZYZRVABKWWEMZ-UHFFFAOYSA-N

Compound name

5-bromo-N-phenyl-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 253.95132 Da
Monoisotopic Mass: 3.9
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]+	254.958596	137.6
[M+Na]+	276.940538	150.8
[M-H]-	252.944044	146.6
[M+NH4]+	271.985143	159.5
[M+K]+	292.914478	138.6
[M+H-H2O]+	236.948580	137.4
[M+HCOO]-	298.949521	157.2
[M+CH3COO]-	312.965171	153.6
[M+Na-2H]-	274.925986	144.3
[M]+	253.95077142	157.2
[M]-	253.95186858	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe