CID 23826

1,1-dichloro-2-ethoxycyclopropane

Structural Information

Molecular Formula
C5H8Cl2O
SMILES
CCOC1CC1(Cl)Cl
InChI
InChI=1S/C5H8Cl2O/c1-2-8-4-3-5(4,6)7/h4H,2-3H2,1H3
InChIKey
CFGDPDUZPQLEGC-UHFFFAOYSA-N
Compound name
1,1-dichloro-2-ethoxycyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

153.99522 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.00250 123.2
[M+Na]+ 176.98444 134.6
[M-H]- 152.98794 127.5
[M+NH4]+ 172.02904 142.6
[M+K]+ 192.95838 131.4
[M+H-H2O]+ 136.99248 120.6
[M+HCOO]- 198.99342 138.0
[M+CH3COO]- 213.00907 177.8
[M+Na-2H]- 174.96989 130.6
[M]+ 153.99467 129.4
[M]- 153.99577 129.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe