CID 6421657

Carbonic acid, hexadecyl phenyl ester

Structural Information

Molecular Formula
C23H38O3
SMILES
CCCCCCCCCCCCCCCCOC(=O)OC1=CC=CC=C1
InChI
InChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-25-23(24)26-22-19-16-15-17-20-22/h15-17,19-20H,2-14,18,21H2,1H3
InChIKey
CWQABBMFNPYHEF-UHFFFAOYSA-N
Compound name
hexadecyl phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

362.2821 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.28938 197.7
[M+Na]+ 385.27132 199.0
[M-H]- 361.27482 198.5
[M+NH4]+ 380.31592 210.1
[M+K]+ 401.24526 195.1
[M+H-H2O]+ 345.27936 188.8
[M+HCOO]- 407.28030 217.3
[M+CH3COO]- 421.29595 217.8
[M+Na-2H]- 383.25677 196.9
[M]+ 362.28155 205.4
[M]- 362.28265 205.4
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