CID 8022540

2-(2-chloroethoxy)propane

Structural Information

Molecular Formula
C5H11ClO
SMILES
CC(C)OCCCl
InChI
InChI=1S/C5H11ClO/c1-5(2)7-4-3-6/h5H,3-4H2,1-2H3
InChIKey
ZPEFUABIKZOZPV-UHFFFAOYSA-N
Compound name
2-(2-chloroethoxy)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

122.04984 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.057116 122.6
[M+Na]+ 145.039058 130.8
[M-H]- 121.042564 123.0
[M+NH4]+ 140.083663 146.0
[M+K]+ 161.012998 129.6
[M+H-H2O]+ 105.047100 119.5
[M+HCOO]- 167.048041 141.5
[M+CH3COO]- 181.063691 171.0
[M+Na-2H]- 143.024506 128.7
[M]+ 122.04929142 126.0
[M]- 122.05038858 126.0
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