CID 6421654

Carbonic acid, dodecyl phenyl ester

Structural Information

Molecular Formula
C19H30O3
SMILES
CCCCCCCCCCCCOC(=O)OC1=CC=CC=C1
InChI
InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-14-17-21-19(20)22-18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3
InChIKey
LLXVUTZVBFYTHG-UHFFFAOYSA-N
Compound name
dodecyl phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

306.21948 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.226756 179.5
[M+Na]+ 329.208698 182.6
[M-H]- 305.212204 181.2
[M+NH4]+ 324.253303 194.3
[M+K]+ 345.182638 179.7
[M+H-H2O]+ 289.216740 171.5
[M+HCOO]- 351.217681 200.6
[M+CH3COO]- 365.233331 206.0
[M+Na-2H]- 327.194146 180.9
[M]+ 306.21893142 185.9
[M]- 306.22002858 185.9
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