CID 71358150

220969-35-7

Structural Information

Molecular Formula
C22H36Cl2O4
SMILES
CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OCCOCCCl)OCCOCCCl
InChI
InChI=1S/C22H36Cl2O4/c1-21(2,3)17-22(4,5)18-6-7-19(27-14-12-25-10-8-23)20(16-18)28-15-13-26-11-9-24/h6-7,16H,8-15,17H2,1-5H3
InChIKey
QMXMPTDNOUWURE-UHFFFAOYSA-N
Compound name
1,2-bis[2-(2-chloroethoxy)ethoxy]-4-(2,4,4-trimethylpentan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

434.19907 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.20635 206.3
[M+Na]+ 457.18829 211.9
[M-H]- 433.19179 208.3
[M+NH4]+ 452.23289 218.2
[M+K]+ 473.16223 206.7
[M+H-H2O]+ 417.19633 200.4
[M+HCOO]- 479.19727 214.8
[M+CH3COO]- 493.21292 228.1
[M+Na-2H]- 455.17374 207.1
[M]+ 434.19852 219.5
[M]- 434.19962 219.5
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

No patent data available for this compound.