CID 31614

2-(2-(ethylthio)ethylthio)benzimidazole

Structural Information

Molecular Formula
C11H14N2S2
SMILES
CCSCCSC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C11H14N2S2/c1-2-14-7-8-15-11-12-9-5-3-4-6-10(9)13-11/h3-6H,2,7-8H2,1H3,(H,12,13)
InChIKey
VOQMFRBOLYQMAM-UHFFFAOYSA-N
Compound name
2-(2-ethylsulfanylethylsulfanyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

238.05984 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.06712 148.9
[M+Na]+ 261.04906 161.5
[M+NH4]+ 256.09366 158.4
[M+K]+ 277.02300 151.6
[M-H]- 237.05256 151.0
[M+Na-2H]- 259.03451 153.9
[M]+ 238.05929 152.3
[M]- 238.06039 152.3
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

patents stripe