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]+ 243.10158 151.9
[M+Na]+ 265.08352 160.6
[M-H]- 241.08702 161.1
[M+NH4]+ 260.12812 171.4
[M+K]+ 281.05746 159.9
[M+H-H2O]+ 225.09156 145.6
[M+HCOO]- 287.09250 174.0
[M+CH3COO]- 301.10815 165.8
[M+Na-2H]- 263.06897 160.7
[M]+ 242.09375 155.7
[M]- 242.09485 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.