CID 98245

6945-86-4

Structural Information

Molecular Formula
C8H10ClN
SMILES
C1CC2CC1CC2(C#N)Cl
InChI
InChI=1S/C8H10ClN/c9-8(5-10)4-6-1-2-7(8)3-6/h6-7H,1-4H2
InChIKey
WPEOPSGMVYBPAE-UHFFFAOYSA-N
Compound name
2-chlorobicyclo[2.2.1]heptane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.05017 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.05745 129.7
[M+Na]+ 178.03939 139.7
[M+NH4]+ 173.08399 137.9
[M+K]+ 194.01333 131.4
[M-H]- 154.04289 123.6
[M+Na-2H]- 176.02484 131.7
[M]+ 155.04962 128.8
[M]- 155.05072 128.8
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

No patent data available for this compound.