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

2
Patents

376.29776 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.30504 202.1
[M+Na]+ 399.28698 203.1
[M-H]- 375.29048 202.8
[M+NH4]+ 394.33158 213.9
[M+K]+ 415.26092 198.9
[M+H-H2O]+ 359.29502 193.1
[M+HCOO]- 421.29596 221.4
[M+CH3COO]- 435.31161 220.7
[M+Na-2H]- 397.27243 200.8
[M]+ 376.29721 210.3
[M]- 376.29831 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