CID 9814973

Tridecyl benzoate

Structural Information

Molecular Formula
C20H32O2
SMILES
CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1
InChI
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-22-20(21)19-16-13-12-14-17-19/h12-14,16-17H,2-11,15,18H2,1H3
InChIKey
PHXPEXIJLNFIBR-UHFFFAOYSA-N
Compound name
tridecyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

304.24023 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.247506 180.8
[M+Na]+ 327.229448 183.5
[M-H]- 303.232954 182.3
[M+NH4]+ 322.274053 195.6
[M+K]+ 343.203388 179.7
[M+H-H2O]+ 287.237490 172.8
[M+HCOO]- 349.238431 201.3
[M+CH3COO]- 363.254081 207.7
[M+Na-2H]- 325.214896 181.6
[M]+ 304.23968142 186.1
[M]- 304.24077858 186.1
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