CID 11094998

2-[(phenylsulfanyl)methyl]oxirane

Structural Information

Molecular Formula
C9H10OS
SMILES
C1C(O1)CSC2=CC=CC=C2
InChI
InChI=1S/C9H10OS/c1-2-4-9(5-3-1)11-7-8-6-10-8/h1-5,8H,6-7H2
InChIKey
MYBWNWNBXBBZKW-UHFFFAOYSA-N
Compound name
2-(phenylsulfanylmethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

78
Patents

166.04524 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05252 127.6
[M+Na]+ 189.03446 137.2
[M-H]- 165.03796 136.1
[M+NH4]+ 184.07906 142.8
[M+K]+ 205.00840 135.9
[M+H-H2O]+ 149.04250 120.9
[M+HCOO]- 211.04344 147.2
[M+CH3COO]- 225.05909 141.8
[M+Na-2H]- 187.01991 134.2
[M]+ 166.04469 132.6
[M]- 166.04579 132.6
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