CID 137202

1768-64-5

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

607
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 120.6
[M+Na]+ 143.02341 127.3
[M-H]- 119.02692 124.2
[M+NH4]+ 138.06802 142.4
[M+K]+ 158.99735 126.7
[M+H-H2O]+ 103.03146 116.6
[M+HCOO]- 165.03240 136.8
[M+CH3COO]- 179.04805 166.2
[M+Na-2H]- 141.00886 128.6
[M]+ 120.03365 118.6
[M]- 120.03474 118.6
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

patents stripe