CID 20357828

2-propanone, 1-chloro-3-(methoxymethoxy)-

Structural Information

Molecular Formula
C5H9ClO3
SMILES
COCOCC(=O)CCl
InChI
InChI=1S/C5H9ClO3/c1-8-4-9-3-5(7)2-6/h2-4H2,1H3
InChIKey
QWPSAHSZNNAFAC-UHFFFAOYSA-N
Compound name
1-chloro-3-(methoxymethoxy)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

152.02402 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03130 126.5
[M+Na]+ 175.01324 134.9
[M-H]- 151.01674 126.9
[M+NH4]+ 170.05784 148.5
[M+K]+ 190.98718 134.1
[M+H-H2O]+ 135.02128 123.0
[M+HCOO]- 197.02222 146.1
[M+CH3COO]- 211.03787 173.9
[M+Na-2H]- 172.99869 132.6
[M]+ 152.02347 132.2
[M]- 152.02457 132.2
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