CID 74572

Phenyl vinyl sulfide

Structural Information

Molecular Formula
C8H8S
SMILES
C=CSC1=CC=CC=C1
InChI
InChI=1S/C8H8S/c1-2-9-8-6-4-3-5-7-8/h2-7H,1H2
InChIKey
GMPDOIGGGXSAPL-UHFFFAOYSA-N
Compound name
ethenylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

2719
Patents

136.03467 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.04195 123.9
[M+Na]+ 159.02389 132.5
[M-H]- 135.02739 128.0
[M+NH4]+ 154.06849 146.4
[M+K]+ 174.99783 129.4
[M+H-H2O]+ 119.03193 118.8
[M+HCOO]- 181.03287 143.8
[M+CH3COO]- 195.04852 171.5
[M+Na-2H]- 157.00934 129.3
[M]+ 136.03412 125.0
[M]- 136.03522 125.0
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