CID 136169285

Schembl5647609

Structural Information

Molecular Formula

C₇H₈BrNO₃S

SMILES

CCOC(=O)C1=C(N=C(S1)CBr)O

InChI

InChI=1S/C7H8BrNO3S/c1-2-12-7(11)5-6(10)9-4(3-8)13-5/h10H,2-3H2,1H3

InChIKey

CPPSWKMAKQOSMM-UHFFFAOYSA-N

Compound name

ethyl 2-(bromomethyl)-4-hydroxy-1,3-thiazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 264.94083 Da
Monoisotopic Mass: 2.6
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]+	265.94811	143.2
[M+Na]+	287.93005	144.0
[M+NH4]+	282.97465	146.7
[M+K]+	303.90399	145.8
[M-H]-	263.93355	141.3
[M+Na-2H]-	285.91550	143.5
[M]+	264.94028	141.7
[M]-	264.94138	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe