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

62
Patents

172.06549 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.072766 141.6
[M+Na]+ 195.054708 149.2
[M-H]- 171.058214 144.0
[M+NH4]+ 190.099313 167.7
[M+K]+ 211.028648 145.6
[M+H-H2O]+ 155.062750 138.1
[M+HCOO]- 217.063691 157.5
[M+CH3COO]- 231.079341 178.6
[M+Na-2H]- 193.040156 143.2
[M]+ 172.06494142 141.5
[M]- 172.06603858 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