CID 154814213

Rac-2-chloro-1-[(1r,2r)-2-propylcyclopropyl]ethan-1-one

Structural Information

Molecular Formula
C8H13ClO
SMILES
CCC[C@@H]1C[C@H]1C(=O)CCl
InChI
InChI=1S/C8H13ClO/c1-2-3-6-4-7(6)8(10)5-9/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKey
KEOIXQTVJHYSPP-RNFRBKRXSA-N
Compound name
2-chloro-1-[(1R,2R)-2-propylcyclopropyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.06549 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.072766 131.1
[M+Na]+ 183.054708 140.9
[M-H]- 159.058214 135.7
[M+NH4]+ 178.099313 148.3
[M+K]+ 199.028648 137.3
[M+H-H2O]+ 143.062750 126.4
[M+HCOO]- 205.063691 149.7
[M+CH3COO]- 219.079341 182.0
[M+Na-2H]- 181.040156 135.6
[M]+ 160.06494142 136.4
[M]- 160.06603858 136.4
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.