CID 13415065

4-chlorooxane-4-carbonitrile

Structural Information

Molecular Formula
C6H8ClNO
SMILES
C1COCCC1(C#N)Cl
InChI
InChI=1S/C6H8ClNO/c7-6(5-8)1-3-9-4-2-6/h1-4H2
InChIKey
YNBRGVZYAVNLRA-UHFFFAOYSA-N
Compound name
4-chlorooxane-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.02943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.03671 124.0
[M+Na]+ 168.01865 134.2
[M-H]- 144.02215 127.9
[M+NH4]+ 163.06325 144.7
[M+K]+ 183.99259 131.2
[M+H-H2O]+ 128.02669 114.0
[M+HCOO]- 190.02763 137.5
[M+CH3COO]- 204.04328 183.4
[M+Na-2H]- 166.00410 132.5
[M]+ 145.02888 118.2
[M]- 145.02998 118.2
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

No patent data available for this compound.