CID 13214306

1-(1-chlorocyclopropyl)ethanone

Structural Information

Molecular Formula
C5H7ClO
SMILES
CC(=O)C1(CC1)Cl
InChI
InChI=1S/C5H7ClO/c1-4(7)5(6)2-3-5/h2-3H2,1H3
InChIKey
KADOHHPNWMXGNG-UHFFFAOYSA-N
Compound name
1-(1-chlorocyclopropyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

100
Patents

118.01854 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.02582 120.8
[M+Na]+ 141.00776 134.3
[M+NH4]+ 136.05236 132.0
[M+K]+ 156.98170 128.2
[M-H]- 117.01126 128.9
[M+Na-2H]- 138.99321 130.7
[M]+ 118.01799 126.5
[M]- 118.01909 126.5
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

patents stripe