CID 139032

Methyl 2-chloro-2-phenylacetate

Structural Information

Molecular Formula
C9H9ClO2
SMILES
COC(=O)C(C1=CC=CC=C1)Cl
InChI
InChI=1S/C9H9ClO2/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKey
XOIOYHPJZJLTGK-UHFFFAOYSA-N
Compound name
methyl 2-chloro-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

166
Patents

184.02911 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03639 135.3
[M+Na]+ 207.01833 148.6
[M+NH4]+ 202.06293 144.2
[M+K]+ 222.99227 142.2
[M-H]- 183.02183 137.1
[M+Na-2H]- 205.00378 142.5
[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

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