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

141
Patents

304.24023 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 180.8
[M+Na]+ 327.22945 183.5
[M-H]- 303.23295 182.3
[M+NH4]+ 322.27405 195.6
[M+K]+ 343.20339 179.7
[M+H-H2O]+ 287.23749 172.8
[M+HCOO]- 349.23843 201.3
[M+CH3COO]- 363.25408 207.7
[M+Na-2H]- 325.21490 181.6
[M]+ 304.23968 186.1
[M]- 304.24078 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