CID 12431558

Spiro[2.3]hexane-5-carbonyl chloride

Structural Information

Molecular Formula
C7H9ClO
SMILES
C1CC12CC(C2)C(=O)Cl
InChI
InChI=1S/C7H9ClO/c8-6(9)5-3-7(4-5)1-2-7/h5H,1-4H2
InChIKey
VSWMJSKVDYLRMI-UHFFFAOYSA-N
Compound name
spiro[2.3]hexane-5-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.0342 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.041476 121.8
[M+Na]+ 167.023418 131.1
[M-H]- 143.026924 128.6
[M+NH4]+ 162.068023 135.5
[M+K]+ 182.997358 131.2
[M+H-H2O]+ 127.031460 114.1
[M+HCOO]- 189.032401 139.0
[M+CH3COO]- 203.048051 179.6
[M+Na-2H]- 165.008866 129.0
[M]+ 144.03365142 132.8
[M]- 144.03474858 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.