CID 137202

4-chlorotetrahydropyran

Structural Information

Molecular Formula
C5H9ClO
SMILES
C1COCCC1Cl
InChI
InChI=1S/C5H9ClO/c6-5-1-3-7-4-2-5/h5H,1-4H2
InChIKey
DHRSKOBIDIDMJZ-UHFFFAOYSA-N
Compound name
4-chlorooxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

580
Patents

120.034195 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04147 119.5
[M+Na]+ 143.02341 132.3
[M+NH4]+ 138.06802 129.9
[M+K]+ 158.99735 125.8
[M-H]- 119.02692 123.5
[M+Na-2H]- 141.00886 126.0
[M]+ 120.03365 122.7
[M]- 120.03474 122.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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