CID 2081081

N-(5-bromo-4-formyl-1,3-thiazol-2-yl)acetamide

Structural Information

Molecular Formula
C6H5BrN2O2S
SMILES
CC(=O)NC1=NC(=C(S1)Br)C=O
InChI
InChI=1S/C6H5BrN2O2S/c1-3(11)8-6-9-4(2-10)5(7)12-6/h2H,1H3,(H,8,9,11)
InChIKey
GCMXRINJCZAAQN-UHFFFAOYSA-N
Compound name
N-(5-bromo-4-formyl-1,3-thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

247.9255 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.932776 135.4
[M+Na]+ 270.914718 149.0
[M-H]- 246.918224 141.6
[M+NH4]+ 265.959323 157.5
[M+K]+ 286.888658 137.6
[M+H-H2O]+ 230.922760 135.2
[M+HCOO]- 292.923701 153.8
[M+CH3COO]- 306.939351 188.5
[M+Na-2H]- 268.900166 139.5
[M]+ 247.92495142 156.8
[M]- 247.92604858 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe