CID 66222830

1346819-23-5

Structural Information

Molecular Formula
C5H6BrNOS
SMILES
CC(C1=NC=C(S1)Br)O
InChI
InChI=1S/C5H6BrNOS/c1-3(8)5-7-2-4(6)9-5/h2-3,8H,1H3
InChIKey
BJNWDFBORWABQJ-UHFFFAOYSA-N
Compound name
1-(5-bromo-1,3-thiazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

206.93535 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.942626 128.0
[M+Na]+ 229.924568 141.5
[M-H]- 205.928074 132.9
[M+NH4]+ 224.969173 151.5
[M+K]+ 245.898508 130.7
[M+H-H2O]+ 189.932610 129.0
[M+HCOO]- 251.933551 144.0
[M+CH3COO]- 265.949201 178.1
[M+Na-2H]- 227.910016 132.2
[M]+ 206.93480142 148.0
[M]- 206.93589858 148.0
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