CID 155821063

2445785-09-9

Structural Information

Molecular Formula
C9H13ClO
SMILES
C1CCC2(C1)CC2C(=O)CCl
InChI
InChI=1S/C9H13ClO/c10-6-8(11)7-5-9(7)3-1-2-4-9/h7H,1-6H2
InChIKey
AHGTVLBVSJOKFA-UHFFFAOYSA-N
Compound name
2-chloro-1-spiro[2.4]heptan-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.06549 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.072766 136.2
[M+Na]+ 195.054708 145.3
[M-H]- 171.058214 142.3
[M+NH4]+ 190.099313 156.1
[M+K]+ 211.028648 141.9
[M+H-H2O]+ 155.062750 132.1
[M+HCOO]- 217.063691 153.2
[M+CH3COO]- 231.079341 180.0
[M+Na-2H]- 193.040156 140.4
[M]+ 172.06494142 137.9
[M]- 172.06603858 137.9
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.