CID 69703

Phenoxyacetyl chloride

Structural Information

Molecular Formula
C8H7ClO2
SMILES
C1=CC=C(C=C1)OCC(=O)Cl
InChI
InChI=1S/C8H7ClO2/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
PKUPAJQAJXVUEK-UHFFFAOYSA-N
Compound name
2-phenoxyacetyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

4158
Patents

170.01346 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.020736 130.2
[M+Na]+ 193.002678 138.8
[M-H]- 169.006184 133.9
[M+NH4]+ 188.047283 151.3
[M+K]+ 208.976618 136.1
[M+H-H2O]+ 153.010720 125.6
[M+HCOO]- 215.011661 150.3
[M+CH3COO]- 229.027311 176.2
[M+Na-2H]- 190.988126 137.4
[M]+ 170.01291142 133.3
[M]- 170.01400858 133.3
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