CID 165945081

[2-(difluoromethyl)-1,3-thiazol-5-yl]methanol

Structural Information

Molecular Formula
C5H5F2NOS
SMILES
C1=C(SC(=N1)C(F)F)CO
InChI
InChI=1S/C5H5F2NOS/c6-4(7)5-8-1-3(2-9)10-5/h1,4,9H,2H2
InChIKey
MBLJNILKLALYQW-UHFFFAOYSA-N
Compound name
[2-(difluoromethyl)-1,3-thiazol-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.006 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.01328 126.4
[M+Na]+ 187.99522 136.1
[M-H]- 163.99872 125.5
[M+NH4]+ 183.03982 147.6
[M+K]+ 203.96916 133.7
[M+H-H2O]+ 148.00326 119.4
[M+HCOO]- 210.00420 142.1
[M+CH3COO]- 224.01985 172.7
[M+Na-2H]- 185.98067 127.4
[M]+ 165.00545 125.5
[M]- 165.00655 125.5
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.