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]+ 239.067116 146.8
[M+Na]+ 261.049058 157.7
[M-H]- 237.052564 147.8
[M+NH4]+ 256.093663 165.7
[M+K]+ 277.022998 151.6
[M+H-H2O]+ 221.057100 141.1
[M+HCOO]- 283.058041 158.5
[M+CH3COO]- 297.073691 159.0
[M+Na-2H]- 259.034506 149.0
[M]+ 238.05929142 151.5
[M]- 238.06038858 151.5
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