CID 5141695

2,5-bis(chloromethyl)-1-methoxy-4-(3',7'-dimethyloctyloxy)benzene

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 192.1
[M-H]- 359.15502 187.7
[M+NH4]+ 378.19612 200.4
[M+K]+ 399.12546 186.3
[M+H-H2O]+ 343.15956 180.2
[M+HCOO]- 405.16050 195.7
[M+CH3COO]- 419.17615 218.1
[M+Na-2H]- 381.13697 182.8
[M]+ 360.16175 195.0
[M]- 360.16285 195.0
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