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

138
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 118.9
[M+Na]+ 141.00776 129.5
[M-H]- 117.01126 124.0
[M+NH4]+ 136.05236 139.1
[M+K]+ 156.98170 127.7
[M+H-H2O]+ 101.01580 115.7
[M+HCOO]- 163.01674 138.0
[M+CH3COO]- 177.03239 171.9
[M+Na-2H]- 138.99321 126.5
[M]+ 118.01799 123.0
[M]- 118.01909 123.0
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