CID 25124267

Schembl638427

Structural Information

Molecular Formula
C10H8F2N2OS
SMILES
C1=CC(=CC=C1C2=CNC(=S)N2)OC(F)F
InChI
InChI=1S/C10H8F2N2OS/c11-9(12)15-7-3-1-6(2-4-7)8-5-13-10(16)14-8/h1-5,9H,(H2,13,14,16)
InChIKey
RSUPNTVGCZRJCF-UHFFFAOYSA-N
Compound name
4-[4-(difluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

242.03255 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.039826 146.1
[M+Na]+ 265.021768 156.0
[M-H]- 241.025274 145.8
[M+NH4]+ 260.066373 162.1
[M+K]+ 280.995708 149.8
[M+H-H2O]+ 225.029810 137.6
[M+HCOO]- 287.030751 159.3
[M+CH3COO]- 301.046401 157.4
[M+Na-2H]- 263.007216 145.9
[M]+ 242.03200142 143.2
[M]- 242.03309858 143.2
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

patents stripe