CID 2763211

5198-86-7

Structural Information

Molecular Formula

SMILES

C1=C(N=C(S1)Br)CO

InChI

InChI=1S/C4H4BrNOS/c5-4-6-3(1-7)2-8-4/h2,7H,1H2

InChIKey

FRPHIGOLOLSXAI-UHFFFAOYSA-N

Compound name

(2-bromo-1,3-thiazol-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 213
Patents: 192.9197 Da
Monoisotopic Mass: 1.1
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]+	193.92698	125.1
[M+Na]+	215.90892	127.3
[M+NH4]+	210.95352	130.5
[M+K]+	231.88286	128.1
[M-H]-	191.91242	124.7
[M+Na-2H]-	213.89437	127.6
[M]+	192.91915	124.4
[M]-	192.92025	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe