CID 102570

Cyclohexyl 2-ethylhexyl phthalate

Structural Information

Molecular Formula
C22H32O4
SMILES
CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OC2CCCCC2
InChI
InChI=1S/C22H32O4/c1-3-5-11-17(4-2)16-25-21(23)19-14-9-10-15-20(19)22(24)26-18-12-7-6-8-13-18/h9-10,14-15,17-18H,3-8,11-13,16H2,1-2H3
InChIKey
GULVUHANCCJWSS-UHFFFAOYSA-N
Compound name
2-O-cyclohexyl 1-O-(2-ethylhexyl) benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

360.23007 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.237346 191.4
[M+Na]+ 383.219288 191.9
[M-H]- 359.222794 195.6
[M+NH4]+ 378.263893 203.1
[M+K]+ 399.193228 189.4
[M+H-H2O]+ 343.227330 182.6
[M+HCOO]- 405.228271 206.9
[M+CH3COO]- 419.243921 215.8
[M+Na-2H]- 381.204736 187.9
[M]+ 360.22952142 191.6
[M]- 360.23061858 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