CID 84665190

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

Structural Information

Molecular Formula
C4H4BrNOS
SMILES
C1=NSC(=C1Br)CO
InChI
InChI=1S/C4H4BrNOS/c5-3-1-6-8-4(3)2-7/h1,7H,2H2
InChIKey
GNHSCDYOGJIADB-UHFFFAOYSA-N
Compound name
(4-bromo-1,2-thiazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.9197 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.92698 122.7
[M+Na]+ 215.90892 136.9
[M-H]- 191.91242 127.7
[M+NH4]+ 210.95352 146.8
[M+K]+ 231.88286 126.0
[M+H-H2O]+ 175.91696 123.9
[M+HCOO]- 237.91790 140.1
[M+CH3COO]- 251.93355 174.5
[M+Na-2H]- 213.89437 128.5
[M]+ 192.91915 142.9
[M]- 192.92025 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

No patent data available for this compound.