CID 397489

Nsc705583

Structural Information

Molecular Formula
C13H10F2N2OS2
SMILES
C1=CC=C(C=C1)SC(C(C2=CN=C3N2C=CS3)O)(F)F
InChI
InChI=1S/C13H10F2N2OS2/c14-13(15,20-9-4-2-1-3-5-9)11(18)10-8-16-12-17(10)6-7-19-12/h1-8,11,18H
InChIKey
PHFSCHCDMQIVSZ-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-imidazo[2,1-b][1,3]thiazol-5-yl-2-phenylsulfanylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.02026 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.02754 163.7
[M+Na]+ 335.00948 175.3
[M-H]- 311.01298 166.3
[M+NH4]+ 330.05408 181.1
[M+K]+ 350.98342 169.8
[M+H-H2O]+ 295.01752 157.1
[M+HCOO]- 357.01846 173.3
[M+CH3COO]- 371.03411 175.2
[M+Na-2H]- 332.99493 164.0
[M]+ 312.01971 166.7
[M]- 312.02081 166.7
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.