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]+ 145.04148 121.8
[M+Na]+ 167.02342 131.1
[M-H]- 143.02692 128.6
[M+NH4]+ 162.06802 135.5
[M+K]+ 182.99736 131.2
[M+H-H2O]+ 127.03146 114.1
[M+HCOO]- 189.03240 139.0
[M+CH3COO]- 203.04805 179.6
[M+Na-2H]- 165.00887 129.0
[M]+ 144.03365 132.8
[M]- 144.03475 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.