CID 14068888

1-chloro-4-methoxybutan-2-one

Structural Information

Molecular Formula
C5H9ClO2
SMILES
COCCC(=O)CCl
InChI
InChI=1S/C5H9ClO2/c1-8-3-2-5(7)4-6/h2-4H2,1H3
InChIKey
GVTCSZPWDYDCIY-UHFFFAOYSA-N
Compound name
1-chloro-4-methoxybutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

136.02911 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.03639 123.5
[M+Na]+ 159.01833 134.9
[M+NH4]+ 154.06293 131.8
[M+K]+ 174.99227 129.2
[M-H]- 135.02183 122.8
[M+Na-2H]- 157.00378 127.8
[M]+ 136.02856 125.0
[M]- 136.02966 125.0
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