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

literature stripe

Patent stripe

patents stripe