CID 154577562

2418718-13-3

Structural Information

Molecular Formula
C8H11ClO
SMILES
C1CC2(C1)CC2C(=O)CCl
InChI
InChI=1S/C8H11ClO/c9-5-7(10)6-4-8(6)2-1-3-8/h6H,1-5H2
InChIKey
KZWPCSSTSNRRLV-UHFFFAOYSA-N
Compound name
2-chloro-1-spiro[2.3]hexan-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.04984 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.05712 126.2
[M+Na]+ 181.03906 135.0
[M-H]- 157.04256 132.7
[M+NH4]+ 176.08366 139.3
[M+K]+ 197.01300 134.9
[M+H-H2O]+ 141.04710 118.3
[M+HCOO]- 203.04804 143.0
[M+CH3COO]- 217.06369 182.3
[M+Na-2H]- 179.02451 132.8
[M]+ 158.04929 137.5
[M]- 158.05039 137.5
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

No patent data available for this compound.