CID 153954754

Carbonic acid, heptadecyl phenyl ester

Structural Information

Molecular Formula
C24H40O3
SMILES
CCCCCCCCCCCCCCCCCOC(=O)OC1=CC=CC=C1
InChI
InChI=1S/C24H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26-24(25)27-23-20-17-16-18-21-23/h16-18,20-21H,2-15,19,22H2,1H3
InChIKey
JGXUYJMHTVATHC-UHFFFAOYSA-N
Compound name
heptadecyl phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.29776 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.305036 202.1
[M+Na]+ 399.286978 203.1
[M-H]- 375.290484 202.8
[M+NH4]+ 394.331583 213.9
[M+K]+ 415.260918 198.9
[M+H-H2O]+ 359.295020 193.1
[M+HCOO]- 421.295961 221.4
[M+CH3COO]- 435.311611 220.7
[M+Na-2H]- 397.272426 200.8
[M]+ 376.29721142 210.3
[M]- 376.29830858 210.3
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