CID 11062580

2-chloro-1-(1-chlorocyclopropyl)ethanone

Structural Information

Molecular Formula
C5H6Cl2O
SMILES
C1CC1(C(=O)CCl)Cl
InChI
InChI=1S/C5H6Cl2O/c6-3-4(8)5(7)1-2-5/h1-3H2
InChIKey
VHHGLRZRRBYTNE-UHFFFAOYSA-N
Compound name
2-chloro-1-(1-chlorocyclopropyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

147
Patents

151.97957 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.98685 122.5
[M+Na]+ 174.96879 133.1
[M-H]- 150.97229 126.6
[M+NH4]+ 170.01339 141.6
[M+K]+ 190.94273 129.8
[M+H-H2O]+ 134.97683 119.9
[M+HCOO]- 196.97777 136.7
[M+CH3COO]- 210.99342 176.6
[M+Na-2H]- 172.95424 129.4
[M]+ 151.97902 127.2
[M]- 151.98012 127.2
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