CID 98245

2-norbornanecarbonitrile, 2-chloro-, endo-

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]+ 156.057446 136.3
[M+Na]+ 178.039388 148.9
[M-H]- 154.042894 139.4
[M+NH4]+ 173.083993 162.7
[M+K]+ 194.013328 141.1
[M+H-H2O]+ 138.047430 126.7
[M+HCOO]- 200.048371 150.8
[M+CH3COO]- 214.064021 149.3
[M+Na-2H]- 176.024836 141.0
[M]+ 155.04962142 131.5
[M]- 155.05071858 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.