CID 12453701

2-chlorohexanenitrile

Structural Information

Molecular Formula
C6H10ClN
SMILES
CCCCC(C#N)Cl
InChI
InChI=1S/C6H10ClN/c1-2-3-4-6(7)5-8/h6H,2-4H2,1H3
InChIKey
ATVDTOOBVYNLKI-UHFFFAOYSA-N
Compound name
2-chlorohexanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

131.05017 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.05745 124.2
[M+Na]+ 154.03939 134.1
[M-H]- 130.04289 125.2
[M+NH4]+ 149.08399 145.1
[M+K]+ 170.01333 131.7
[M+H-H2O]+ 114.04743 114.4
[M+HCOO]- 176.04837 139.8
[M+CH3COO]- 190.06402 186.4
[M+Na-2H]- 152.02484 129.9
[M]+ 131.04962 121.6
[M]- 131.05072 121.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe