CID 10034810

Acetic acid 2-chloromethoxy-ethyl ester

Structural Information

Molecular Formula
C5H9ClO3
SMILES
CC(=O)OCCOCCl
InChI
InChI=1S/C5H9ClO3/c1-5(7)9-3-2-8-4-6/h2-4H2,1H3
InChIKey
PAHCSXMDRKCMGY-UHFFFAOYSA-N
Compound name
2-(chloromethoxy)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

152.02402 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03130 126.7
[M+Na]+ 175.01324 135.2
[M-H]- 151.01674 127.2
[M+NH4]+ 170.05784 148.8
[M+K]+ 190.98718 134.4
[M+H-H2O]+ 135.02128 123.3
[M+HCOO]- 197.02222 146.3
[M+CH3COO]- 211.03787 173.3
[M+Na-2H]- 172.99869 132.8
[M]+ 152.02347 132.3
[M]- 152.02457 132.3
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