CID 172810

Cyclohexyl isooctyl phthalate

Structural Information

Molecular Formula
C22H32O4
SMILES
CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OC2CCCCC2
InChI
InChI=1S/C22H32O4/c1-17(2)11-5-4-10-16-25-21(23)19-14-8-9-15-20(19)22(24)26-18-12-6-3-7-13-18/h8-9,14-15,17-18H,3-7,10-13,16H2,1-2H3
InChIKey
PQDNDGYLGVVELW-UHFFFAOYSA-N
Compound name
2-O-cyclohexyl 1-O-(6-methylheptyl) benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3
Patents

360.23007 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.23735 191.4
[M+Na]+ 383.21929 191.9
[M-H]- 359.22279 195.6
[M+NH4]+ 378.26389 203.1
[M+K]+ 399.19323 189.4
[M+H-H2O]+ 343.22733 182.6
[M+HCOO]- 405.22827 206.9
[M+CH3COO]- 419.24392 215.8
[M+Na-2H]- 381.20474 187.9
[M]+ 360.22952 191.6
[M]- 360.23062 191.6
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