CID 11195926

Ethyl 3-(4-chloro-2-fluorophenyl)-3-oxopropanoate

Structural Information

Molecular Formula
C11H10ClFO3
SMILES
CCOC(=O)CC(=O)C1=C(C=C(C=C1)Cl)F
InChI
InChI=1S/C11H10ClFO3/c1-2-16-11(15)6-10(14)8-4-3-7(12)5-9(8)13/h3-5H,2,6H2,1H3
InChIKey
QRRFIUQAXZIQMH-UHFFFAOYSA-N
Compound name
ethyl 3-(4-chloro-2-fluorophenyl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

244.03024 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03752 146.5
[M+Na]+ 267.01946 155.9
[M-H]- 243.02296 149.2
[M+NH4]+ 262.06406 165.1
[M+K]+ 282.99340 152.4
[M+H-H2O]+ 227.02750 140.8
[M+HCOO]- 289.02844 164.1
[M+CH3COO]- 303.04409 191.5
[M+Na-2H]- 265.00491 149.0
[M]+ 244.02969 150.6
[M]- 244.03079 150.6
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