CID 13448143

2-chlorocyclohexane-1-carbonitrile

Structural Information

Molecular Formula
C7H10ClN
SMILES
C1CCC(C(C1)C#N)Cl
InChI
InChI=1S/C7H10ClN/c8-7-4-2-1-3-6(7)5-9/h6-7H,1-4H2
InChIKey
OZYBRLKYABATKS-UHFFFAOYSA-N
Compound name
2-chlorocyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

143.05017 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.05745 127.1
[M+Na]+ 166.03939 136.7
[M-H]- 142.04289 130.3
[M+NH4]+ 161.08399 147.5
[M+K]+ 182.01333 132.4
[M+H-H2O]+ 126.04743 116.8
[M+HCOO]- 188.04837 140.9
[M+CH3COO]- 202.06402 185.8
[M+Na-2H]- 164.02484 132.4
[M]+ 143.04962 119.8
[M]- 143.05072 119.8
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