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 138.0
[M+Na]+ 223.01324 146.2
[M-H]- 199.01674 141.5
[M+NH4]+ 218.05784 157.9
[M+K]+ 238.98718 143.7
[M+H-H2O]+ 183.02128 132.9
[M+HCOO]- 245.02222 158.0
[M+CH3COO]- 259.03787 180.5
[M+Na-2H]- 220.99869 144.6
[M]+ 200.02347 142.8
[M]- 200.02457 142.8
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