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 136.3
[M+Na]+ 178.03939 148.9
[M-H]- 154.04289 139.4
[M+NH4]+ 173.08399 162.7
[M+K]+ 194.01333 141.1
[M+H-H2O]+ 138.04743 126.7
[M+HCOO]- 200.04837 150.8
[M+CH3COO]- 214.06402 149.3
[M+Na-2H]- 176.02484 141.0
[M]+ 155.04962 131.5
[M]- 155.05072 131.5
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.