CID 6421663

Carbonic acid, pentadecyl phenyl ester

Structural Information

Molecular Formula
C22H36O3
SMILES
CCCCCCCCCCCCCCCOC(=O)OC1=CC=CC=C1
InChI
InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24-22(23)25-21-18-15-14-16-19-21/h14-16,18-19H,2-13,17,20H2,1H3
InChIKey
ZDMORWSPXCSTKG-UHFFFAOYSA-N
Compound name
pentadecyl phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

348.26645 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.27373 193.2
[M+Na]+ 371.25567 195.0
[M-H]- 347.25917 194.2
[M+NH4]+ 366.30027 206.1
[M+K]+ 387.22961 191.3
[M+H-H2O]+ 331.26371 184.5
[M+HCOO]- 393.26465 213.2
[M+CH3COO]- 407.28030 214.9
[M+Na-2H]- 369.24112 192.9
[M]+ 348.26590 200.6
[M]- 348.26700 200.6
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