CID 4129754

2-ethoxy-2-phenyl-1,3-benzodioxole

Structural Information

Molecular Formula
C15H14O3
SMILES
CCOC1(OC2=CC=CC=C2O1)C3=CC=CC=C3
InChI
InChI=1S/C15H14O3/c1-2-16-15(12-8-4-3-5-9-12)17-13-10-6-7-11-14(13)18-15/h3-11H,2H2,1H3
InChIKey
MHGDKEXGRUSUMX-UHFFFAOYSA-N
Compound name
2-ethoxy-2-phenyl-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.101576 151.9
[M+Na]+ 265.083518 160.6
[M-H]- 241.087024 161.1
[M+NH4]+ 260.128123 171.4
[M+K]+ 281.057458 159.9
[M+H-H2O]+ 225.091560 145.6
[M+HCOO]- 287.092501 174.0
[M+CH3COO]- 301.108151 165.8
[M+Na-2H]- 263.068966 160.7
[M]+ 242.09375142 155.7
[M]- 242.09484858 155.7
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

No patent data available for this compound.