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

159
Patents

118.01854 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.025816 118.9
[M+Na]+ 141.007758 129.5
[M-H]- 117.011264 124.0
[M+NH4]+ 136.052363 139.1
[M+K]+ 156.981698 127.7
[M+H-H2O]+ 101.015800 115.7
[M+HCOO]- 163.016741 138.0
[M+CH3COO]- 177.032391 171.9
[M+Na-2H]- 138.993206 126.5
[M]+ 118.01799142 123.0
[M]- 118.01908858 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