CID 3020321

Bis(2-ethoxyphenyl) carbonate

Structural Information

Molecular Formula
C17H18O5
SMILES
CCOC1=CC=CC=C1OC(=O)OC2=CC=CC=C2OCC
InChI
InChI=1S/C17H18O5/c1-3-19-13-9-5-7-11-15(13)21-17(18)22-16-12-8-6-10-14(16)20-4-2/h5-12H,3-4H2,1-2H3
InChIKey
LTAICIIOZBYBTN-UHFFFAOYSA-N
Compound name
bis(2-ethoxyphenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

302.11542 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.122696 168.6
[M+Na]+ 325.104638 175.4
[M-H]- 301.108144 175.3
[M+NH4]+ 320.149243 183.4
[M+K]+ 341.078578 173.8
[M+H-H2O]+ 285.112680 160.1
[M+HCOO]- 347.113621 192.2
[M+CH3COO]- 361.129271 202.2
[M+Na-2H]- 323.090086 172.5
[M]+ 302.11487142 175.1
[M]- 302.11596858 175.1
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