CID 118700

Butane, 1,1'-(methylenebis(oxy))bis(4-chloro-

Structural Information

Molecular Formula
C9H18Cl2O2
SMILES
C(CCCl)COCOCCCCCl
InChI
InChI=1S/C9H18Cl2O2/c10-5-1-3-7-12-9-13-8-4-2-6-11/h1-9H2
InChIKey
FXBWFEQWNNOOTF-UHFFFAOYSA-N
Compound name
1-chloro-4-(4-chlorobutoxymethoxy)butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

228.06839 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.07567 148.9
[M+Na]+ 251.05761 156.0
[M-H]- 227.06111 147.8
[M+NH4]+ 246.10221 168.4
[M+K]+ 267.03155 152.0
[M+H-H2O]+ 211.06565 145.3
[M+HCOO]- 273.06659 162.6
[M+CH3COO]- 287.08224 188.8
[M+Na-2H]- 249.04306 153.3
[M]+ 228.06784 156.7
[M]- 228.06894 156.7
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