CID 10013411

171435-98-6

Structural Information

Molecular Formula
C14H12O2
SMILES
C1C(O1)C2=CC=C(C=C2)OC3=CC=CC=C3
InChI
InChI=1S/C14H12O2/c1-2-4-12(5-3-1)16-13-8-6-11(7-9-13)14-10-15-14/h1-9,14H,10H2
InChIKey
NOARSFGGODBKQW-UHFFFAOYSA-N
Compound name
2-(4-phenoxyphenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

212.08372 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.090996 142.3
[M+Na]+ 235.072938 151.9
[M-H]- 211.076444 153.6
[M+NH4]+ 230.117543 154.9
[M+K]+ 251.046878 150.2
[M+H-H2O]+ 195.080980 134.6
[M+HCOO]- 257.081921 166.9
[M+CH3COO]- 271.097571 156.1
[M+Na-2H]- 233.058386 151.1
[M]+ 212.08317142 146.2
[M]- 212.08426858 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe