CID 225656

5463-08-1

Structural Information

Molecular Formula
C10H10N2O2S
SMILES
CCOC(=O)SC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C10H10N2O2S/c1-2-14-10(13)15-9-11-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3,(H,11,12)
InChIKey
AQZIYDSYWZXJOB-UHFFFAOYSA-N
Compound name
ethyl 1H-benzimidazol-2-ylsulfanylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0463 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05358 145.9
[M+Na]+ 245.03552 156.5
[M-H]- 221.03902 147.5
[M+NH4]+ 240.08012 164.9
[M+K]+ 261.00946 152.6
[M+H-H2O]+ 205.04356 139.7
[M+HCOO]- 267.04450 162.9
[M+CH3COO]- 281.06015 181.9
[M+Na-2H]- 243.02097 149.8
[M]+ 222.04575 150.7
[M]- 222.04685 150.7
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.