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]+ 207.942626 127.2
[M+Na]+ 229.924568 141.0
[M-H]- 205.928074 132.0
[M+NH4]+ 224.969173 150.7
[M+K]+ 245.898508 129.8
[M+H-H2O]+ 189.932610 128.1
[M+HCOO]- 251.933551 144.2
[M+CH3COO]- 265.949201 177.3
[M+Na-2H]- 227.910016 132.4
[M]+ 206.93480142 147.7
[M]- 206.93589858 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