CID 2763183

761447-63-6

Structural Information

Molecular Formula
C6H8BrNOS
SMILES
CC(C)(C1=NC(=CS1)Br)O
InChI
InChI=1S/C6H8BrNOS/c1-6(2,9)5-8-4(7)3-10-5/h3,9H,1-2H3
InChIKey
DIYKULIZPAXQQZ-UHFFFAOYSA-N
Compound name
2-(4-bromo-1,3-thiazol-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

220.951 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.95828 133.8
[M+Na]+ 243.94022 147.5
[M-H]- 219.94372 138.8
[M+NH4]+ 238.98482 156.9
[M+K]+ 259.91416 136.4
[M+H-H2O]+ 203.94826 135.1
[M+HCOO]- 265.94920 149.1
[M+CH3COO]- 279.96485 180.4
[M+Na-2H]- 241.92567 139.2
[M]+ 220.95045 154.2
[M]- 220.95155 154.2
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