CID 3015708

2-phenoxyethyl chloroformate

Structural Information

Molecular Formula
C9H9ClO3
SMILES
C1=CC=C(C=C1)OCCOC(=O)Cl
InChI
InChI=1S/C9H9ClO3/c10-9(11)13-7-6-12-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
GQGPDDREGSRIRX-UHFFFAOYSA-N
Compound name
2-phenoxyethyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

200.02402 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03130 138.1
[M+Na]+ 223.01324 151.3
[M+NH4]+ 218.05784 146.5
[M+K]+ 238.98718 144.6
[M-H]- 199.01674 139.6
[M+Na-2H]- 220.99869 145.2
[M]+ 200.02347 140.6
[M]- 200.02457 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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