CID 177085

Benzyloxyacetyl chloride

Structural Information

Molecular Formula
C9H9ClO2
SMILES
C1=CC=C(C=C1)COCC(=O)Cl
InChI
InChI=1S/C9H9ClO2/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
QISAUDWTBBNJIR-UHFFFAOYSA-N
Compound name
2-phenylmethoxyacetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2970
Patents

184.02911 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03639 135.1
[M+Na]+ 207.01833 148.7
[M+NH4]+ 202.06293 144.1
[M+K]+ 222.99227 141.6
[M-H]- 183.02183 137.1
[M+Na-2H]- 205.00378 142.7
[M]+ 184.02856 137.9
[M]- 184.02966 137.9
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

patents stripe