CID 7944

Bis(2-chloro-1-methylethyl) ether

Structural Information

Molecular Formula
C6H12Cl2O
SMILES
CC(CCl)OC(C)CCl
InChI
InChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3
InChIKey
QCFYJCYNJLBDRT-UHFFFAOYSA-N
Compound name
1-chloro-2-(1-chloropropan-2-yloxy)propane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

21
References

1358
Patents

170.02652 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.03380 131.7
[M+Na]+ 193.01574 143.4
[M+NH4]+ 188.06034 140.5
[M+K]+ 208.98968 137.2
[M-H]- 169.01924 131.3
[M+Na-2H]- 191.00119 136.0
[M]+ 170.02597 133.7
[M]- 170.02707 133.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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