CID 14622584

2-{bicyclo[2.2.1]heptan-2-yl}acetyl chloride

Structural Information

Molecular Formula
C9H13ClO
SMILES
C1CC2CC1CC2CC(=O)Cl
InChI
InChI=1S/C9H13ClO/c10-9(11)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2
InChIKey
SGEBCUSJUMCJGH-UHFFFAOYSA-N
Compound name
2-(2-bicyclo[2.2.1]heptanyl)acetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

172.06549 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07277 141.6
[M+Na]+ 195.05471 149.2
[M-H]- 171.05821 144.0
[M+NH4]+ 190.09931 167.7
[M+K]+ 211.02865 145.6
[M+H-H2O]+ 155.06275 138.1
[M+HCOO]- 217.06369 157.5
[M+CH3COO]- 231.07934 178.6
[M+Na-2H]- 193.04016 143.2
[M]+ 172.06494 141.5
[M]- 172.06604 141.5
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

patents stripe