CID 89331

1,6-bis(3-chloro-2-hydroxypropoxy)hexane

Structural Information

Molecular Formula
C12H24Cl2O4
SMILES
C(CCCOCC(CCl)O)CCOCC(CCl)O
InChI
InChI=1S/C12H24Cl2O4/c13-7-11(15)9-17-5-3-1-2-4-6-18-10-12(16)8-14/h11-12,15-16H,1-10H2
InChIKey
LBJXEKNHZKWYDM-UHFFFAOYSA-N
Compound name
1-chloro-3-[6-(3-chloro-2-hydroxypropoxy)hexoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

302.10516 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11244 166.3
[M+Na]+ 325.09438 174.3
[M+NH4]+ 320.13898 171.7
[M+K]+ 341.06832 168.9
[M-H]- 301.09788 163.0
[M+Na-2H]- 323.07983 166.4
[M]+ 302.10461 166.6
[M]- 302.10571 166.6
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

No patent data available for this compound.