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]+ 248.93278 135.4
[M+Na]+ 270.91472 149.0
[M-H]- 246.91822 141.6
[M+NH4]+ 265.95932 157.5
[M+K]+ 286.88866 137.6
[M+H-H2O]+ 230.92276 135.2
[M+HCOO]- 292.92370 153.8
[M+CH3COO]- 306.93935 188.5
[M+Na-2H]- 268.90017 139.5
[M]+ 247.92495 156.8
[M]- 247.92605 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