CID 937216

321578-79-4

Structural Information

Molecular Formula
C8H6F2N2S
SMILES
C1=CC=C2C(=C1)NC(=N2)SC(F)F
InChI
InChI=1S/C8H6F2N2S/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4,7H,(H,11,12)
InChIKey
GUCODYJAVBMOPG-UHFFFAOYSA-N
Compound name
2-(difluoromethylsulfanyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

200.02197 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.02925 133.7
[M+Na]+ 223.01119 145.1
[M-H]- 199.01469 132.7
[M+NH4]+ 218.05579 153.5
[M+K]+ 238.98513 140.4
[M+H-H2O]+ 183.01923 126.1
[M+HCOO]- 245.02017 148.6
[M+CH3COO]- 259.03582 146.7
[M+Na-2H]- 220.99664 137.4
[M]+ 200.02142 133.8
[M]- 200.02252 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.