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

56
Patents

141.03453 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04181 126.2
[M+Na]+ 164.02375 136.7
[M-H]- 140.02725 129.6
[M+NH4]+ 159.06835 146.7
[M+K]+ 179.99769 132.3
[M+H-H2O]+ 124.03179 115.9
[M+HCOO]- 186.03273 141.3
[M+CH3COO]- 200.04838 185.5
[M+Na-2H]- 162.00920 132.4
[M]+ 141.03398 120.2
[M]- 141.03508 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