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
8
Annotation Hits

629
References

71605
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 119.9
[M+Na]+ 143.04674 129.9
[M-H]- 119.05024 128.6
[M+NH4]+ 138.09134 136.3
[M+K]+ 159.02068 129.5
[M+H-H2O]+ 103.05478 113.6
[M+HCOO]- 165.05572 144.7
[M+CH3COO]- 179.07137 172.7
[M+Na-2H]- 141.03219 130.3
[M]+ 120.05697 122.7
[M]- 120.05807 122.7
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