CID 7213124

(2-bromo-1,3-thiazol-5-yl)methanol

Structural Information

Molecular Formula
C4H4BrNOS
SMILES
C1=C(SC(=N1)Br)CO
InChI
InChI=1S/C4H4BrNOS/c5-4-6-1-3(2-7)8-4/h1,7H,2H2
InChIKey
DWNJWSPPORNJGV-UHFFFAOYSA-N
Compound name
(2-bromo-1,3-thiazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

379
Patents

192.9197 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.926976 122.7
[M+Na]+ 215.908918 136.9
[M-H]- 191.912424 127.7
[M+NH4]+ 210.953523 146.8
[M+K]+ 231.882858 126.0
[M+H-H2O]+ 175.916960 123.9
[M+HCOO]- 237.917901 140.1
[M+CH3COO]- 251.933551 174.5
[M+Na-2H]- 213.894366 128.5
[M]+ 192.91915142 142.9
[M]- 192.92024858 142.9
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