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

15
Patents

206.93535 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.94263 128.0
[M+Na]+ 229.92457 141.5
[M-H]- 205.92807 132.9
[M+NH4]+ 224.96917 151.5
[M+K]+ 245.89851 130.7
[M+H-H2O]+ 189.93261 129.0
[M+HCOO]- 251.93355 144.0
[M+CH3COO]- 265.94920 178.1
[M+Na-2H]- 227.91002 132.2
[M]+ 206.93480 148.0
[M]- 206.93590 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