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]+ 144.057446 127.1
[M+Na]+ 166.039388 136.7
[M-H]- 142.042894 130.3
[M+NH4]+ 161.083993 147.5
[M+K]+ 182.013328 132.4
[M+H-H2O]+ 126.047430 116.8
[M+HCOO]- 188.048371 140.9
[M+CH3COO]- 202.064021 185.8
[M+Na-2H]- 164.024836 132.4
[M]+ 143.04962142 119.8
[M]- 143.05071858 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