CID 4996291

2-chloro-1-(4-ethoxyphenyl)ethanone

Structural Information

Molecular Formula
C10H11ClO2
SMILES
CCOC1=CC=C(C=C1)C(=O)CCl
InChI
InChI=1S/C10H11ClO2/c1-2-13-9-5-3-8(4-6-9)10(12)7-11/h3-6H,2,7H2,1H3
InChIKey
ZYLJLWLQPBRDLN-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-ethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

198.04475 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.052026 138.9
[M+Na]+ 221.033968 147.7
[M-H]- 197.037474 142.6
[M+NH4]+ 216.078573 159.3
[M+K]+ 237.007908 144.4
[M+H-H2O]+ 181.042010 134.1
[M+HCOO]- 243.042951 158.3
[M+CH3COO]- 257.058601 183.3
[M+Na-2H]- 219.019416 144.3
[M]+ 198.04420142 143.2
[M]- 198.04529858 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe