CID 49840939

2-chlorocyclohex-1-ene-1-carbonitrile

Structural Information

Molecular Formula
C7H8ClN
SMILES
C1CCC(=C(C1)C#N)Cl
InChI
InChI=1S/C7H8ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H2
InChIKey
AFMPUGDGNQTHOQ-UHFFFAOYSA-N
Compound name
2-chlorocyclohexene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

141.03453 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.041806 126.2
[M+Na]+ 164.023748 136.7
[M-H]- 140.027254 129.6
[M+NH4]+ 159.068353 146.7
[M+K]+ 179.997688 132.3
[M+H-H2O]+ 124.031790 115.9
[M+HCOO]- 186.032731 141.3
[M+CH3COO]- 200.048381 185.5
[M+Na-2H]- 162.009196 132.4
[M]+ 141.03398142 120.2
[M]- 141.03507858 120.2
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

patents stripe