CID 162095

1-chloroethyl ethyl carbonate

Structural Information

Molecular Formula
C5H9ClO3
SMILES
CCOC(=O)OC(C)Cl
InChI
InChI=1S/C5H9ClO3/c1-3-8-5(7)9-4(2)6/h4H,3H2,1-2H3
InChIKey
YVRGKFXJZCTTRB-UHFFFAOYSA-N
Compound name
1-chloroethyl ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1400
Patents

152.02402 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03130 126.8
[M+Na]+ 175.01324 137.3
[M+NH4]+ 170.05784 134.4
[M+K]+ 190.98718 133.0
[M-H]- 151.01674 125.3
[M+Na-2H]- 172.99869 130.2
[M]+ 152.02347 127.9
[M]- 152.02457 127.9
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

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