CID 84177

Ethyl (4-chlorophenyl)acetate

Structural Information

Molecular Formula
C10H11ClO2
SMILES
CCOC(=O)CC1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H11ClO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
InChIKey
UTWBWFXECVFDPZ-UHFFFAOYSA-N
Compound name
ethyl 2-(4-chlorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

347
Patents

198.04475 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05203 139.1
[M+Na]+ 221.03397 148.0
[M-H]- 197.03747 142.9
[M+NH4]+ 216.07857 159.6
[M+K]+ 237.00791 144.7
[M+H-H2O]+ 181.04201 134.4
[M+HCOO]- 243.04295 158.6
[M+CH3COO]- 257.05860 182.6
[M+Na-2H]- 219.01942 144.5
[M]+ 198.04420 143.3
[M]- 198.04530 143.3
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