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

8
Patents

242.03255 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.03983 146.1
[M+Na]+ 265.02177 156.0
[M-H]- 241.02527 145.8
[M+NH4]+ 260.06637 162.1
[M+K]+ 280.99571 149.8
[M+H-H2O]+ 225.02981 137.6
[M+HCOO]- 287.03075 159.3
[M+CH3COO]- 301.04640 157.4
[M+Na-2H]- 263.00722 145.9
[M]+ 242.03200 143.2
[M]- 242.03310 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