CID 57408171

1211526-90-7

Structural Information

Molecular Formula
C7H5F5N2S2
SMILES
C1=CC2=C(C=C1S(F)(F)(F)(F)F)NC(=S)N2
InChI
InChI=1S/C7H5F5N2S2/c8-16(9,10,11,12)4-1-2-5-6(3-4)14-7(15)13-5/h1-3H,(H2,13,14,15)
InChIKey
HMUGFBPMCCLOGO-UHFFFAOYSA-N
Compound name
5-(pentafluoro-lambda6-sulfanyl)-1,3-dihydrobenzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.98145 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.988726 134.6
[M+Na]+ 298.970668 148.8
[M-H]- 274.974174 129.1
[M+NH4]+ 294.015273 151.4
[M+K]+ 314.944608 140.3
[M+H-H2O]+ 258.978710 126.9
[M+HCOO]- 320.979651 140.0
[M+CH3COO]- 334.995301 145.9
[M+Na-2H]- 296.956116 134.5
[M]+ 275.98090142 130.3
[M]- 275.98199858 130.3
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.