CID 165663814

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

Structural Information

Molecular Formula
C4H4INOS
SMILES
C1=NSC(=C1I)CO
InChI
InChI=1S/C4H4INOS/c5-3-1-6-8-4(3)2-7/h1,7H,2H2
InChIKey
VUXIXGREOWRIQL-UHFFFAOYSA-N
Compound name
(4-iodo-1,2-thiazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.90582 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.91310 131.4
[M+Na]+ 263.89504 134.4
[M-H]- 239.89854 126.5
[M+NH4]+ 258.93964 148.9
[M+K]+ 279.86898 138.2
[M+H-H2O]+ 223.90308 122.7
[M+HCOO]- 285.90402 145.5
[M+CH3COO]- 299.91967 175.6
[M+Na-2H]- 261.88049 122.7
[M]+ 240.90527 130.4
[M]- 240.90637 130.4
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.