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]+ 276.98873 134.6
[M+Na]+ 298.97067 148.8
[M-H]- 274.97417 129.1
[M+NH4]+ 294.01527 151.4
[M+K]+ 314.94461 140.3
[M+H-H2O]+ 258.97871 126.9
[M+HCOO]- 320.97965 140.0
[M+CH3COO]- 334.99530 145.9
[M+Na-2H]- 296.95612 134.5
[M]+ 275.98090 130.3
[M]- 275.98200 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.