CID 5141695

174097-32-6

Structural Information

Molecular Formula
C19H30Cl2O2
SMILES
CC(C)CCCC(C)CCOC1=CC(=C(C=C1CCl)OC)CCl
InChI
InChI=1S/C19H30Cl2O2/c1-14(2)6-5-7-15(3)8-9-23-19-11-16(12-20)18(22-4)10-17(19)13-21/h10-11,14-15H,5-9,12-13H2,1-4H3
InChIKey
NLOCNKYNECKGNC-UHFFFAOYSA-N
Compound name
1,4-bis(chloromethyl)-2-(3,7-dimethyloctoxy)-5-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

360.1623 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16958 185.5
[M+Na]+ 383.15152 198.3
[M+NH4]+ 378.19612 193.0
[M+K]+ 399.12546 189.5
[M-H]- 359.15502 187.1
[M+Na-2H]- 381.13697 189.5
[M]+ 360.16175 188.4
[M]- 360.16285 188.4
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