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]+ 223.053576 145.9
[M+Na]+ 245.035518 156.5
[M-H]- 221.039024 147.5
[M+NH4]+ 240.080123 164.9
[M+K]+ 261.009458 152.6
[M+H-H2O]+ 205.043560 139.7
[M+HCOO]- 267.044501 162.9
[M+CH3COO]- 281.060151 181.9
[M+Na-2H]- 243.020966 149.8
[M]+ 222.04575142 150.7
[M]- 222.04684858 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.