CID 480039

Benzyl ethylsulfanylformate

Structural Information

Molecular Formula
C10H12O2S
SMILES
CCSC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C10H12O2S/c1-2-13-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey
FHOYQVVVXUOAFG-UHFFFAOYSA-N
Compound name
benzyl ethylsulfanylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

196.0558 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.06308 141.5
[M+Na]+ 219.04502 148.7
[M-H]- 195.04852 145.2
[M+NH4]+ 214.08962 161.5
[M+K]+ 235.01896 146.5
[M+H-H2O]+ 179.05306 135.5
[M+HCOO]- 241.05400 160.1
[M+CH3COO]- 255.06965 180.8
[M+Na-2H]- 217.03047 144.6
[M]+ 196.05525 145.3
[M]- 196.05635 145.3
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

No patent data available for this compound.