CID 104196

Methyl 4-chlorophenylacetate

Structural Information

Molecular Formula
C9H9ClO2
SMILES
COC(=O)CC1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H9ClO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3
InChIKey
WWIYGBWRUXQDND-UHFFFAOYSA-N
Compound name
methyl 2-(4-chlorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

913
Patents

184.02911 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.036386 134.3
[M+Na]+ 207.018328 143.6
[M-H]- 183.021834 138.3
[M+NH4]+ 202.062933 155.4
[M+K]+ 222.992268 140.6
[M+H-H2O]+ 167.026370 129.8
[M+HCOO]- 229.027311 154.1
[M+CH3COO]- 243.042961 179.6
[M+Na-2H]- 205.003776 140.3
[M]+ 184.02856142 138.1
[M]- 184.02965858 138.1
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