CID 83688030

2-(5-bromo-1,3-thiazol-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C5H6BrNOS
SMILES
C1=C(SC(=N1)CCO)Br
InChI
InChI=1S/C5H6BrNOS/c6-4-3-7-5(9-4)1-2-8/h3,8H,1-2H2
InChIKey
DDXRAELMTWIYCD-UHFFFAOYSA-N
Compound name
2-(5-bromo-1,3-thiazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

206.93535 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.94263 127.2
[M+Na]+ 229.92457 141.0
[M-H]- 205.92807 132.0
[M+NH4]+ 224.96917 150.7
[M+K]+ 245.89851 129.8
[M+H-H2O]+ 189.93261 128.1
[M+HCOO]- 251.93355 144.2
[M+CH3COO]- 265.94920 177.3
[M+Na-2H]- 227.91002 132.4
[M]+ 206.93480 147.7
[M]- 206.93590 147.7
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