CID 7276

Styrene oxide

Structural Information

Molecular Formula
C8H8O
SMILES
C1C(O1)C2=CC=CC=C2
InChI
InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2
InChIKey
AWMVMTVKBNGEAK-UHFFFAOYSA-N
Compound name
2-phenyloxirane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

628
References

68790
Patents

120.05752 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.06480 124.4
[M+Na]+ 143.04674 139.9
[M+NH4]+ 138.09134 135.1
[M+K]+ 159.02068 134.5
[M-H]- 119.05024 136.7
[M+Na-2H]- 141.03219 136.0
[M]+ 120.05697 131.4
[M]- 120.05807 131.4
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