CID 14123192

1,1'-peroxybis[2-(propan-2-yl)benzene]

Structural Information

Molecular Formula
C18H22O2
SMILES
CC(C)C1=CC=CC=C1OOC2=CC=CC=C2C(C)C
InChI
InChI=1S/C18H22O2/c1-13(2)15-9-5-7-11-17(15)19-20-18-12-8-6-10-16(18)14(3)4/h5-14H,1-4H3
InChIKey
NWGUOJPIIWLZQA-UHFFFAOYSA-N
Compound name
1-propan-2-yl-2-(2-propan-2-ylphenyl)peroxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

270.162 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.169276 164.6
[M+Na]+ 293.151218 170.7
[M-H]- 269.154724 171.2
[M+NH4]+ 288.195823 180.9
[M+K]+ 309.125158 168.1
[M+H-H2O]+ 253.159260 156.8
[M+HCOO]- 315.160201 186.1
[M+CH3COO]- 329.175851 202.0
[M+Na-2H]- 291.136666 166.6
[M]+ 270.16145142 167.5
[M]- 270.16254858 167.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe