CID 141388070

At10262

Structural Information

Molecular Formula
C4H3BrClNOS
SMILES
C(C1=C(SC(=N1)Br)Cl)O
InChI
InChI=1S/C4H3BrClNOS/c5-4-7-2(1-8)3(6)9-4/h8H,1H2
InChIKey
YGAIJSQZNLYPMB-UHFFFAOYSA-N
Compound name
(2-bromo-5-chloro-1,3-thiazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.88074 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.88802 127.3
[M+Na]+ 249.86996 143.1
[M-H]- 225.87346 132.6
[M+NH4]+ 244.91456 151.1
[M+K]+ 265.84390 130.2
[M+H-H2O]+ 209.87800 129.3
[M+HCOO]- 271.87894 140.1
[M+CH3COO]- 285.89459 179.2
[M+Na-2H]- 247.85541 132.1
[M]+ 226.88019 149.3
[M]- 226.88129 149.3
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.