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 146.8
[M+Na]+ 261.04906 157.7
[M-H]- 237.05256 147.8
[M+NH4]+ 256.09366 165.7
[M+K]+ 277.02300 151.6
[M+H-H2O]+ 221.05710 141.1
[M+HCOO]- 283.05804 158.5
[M+CH3COO]- 297.07369 159.0
[M+Na-2H]- 259.03451 149.0
[M]+ 238.05929 151.5
[M]- 238.06039 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