CID 67267062

Methyl 3-(2-chloro-6-fluorophenyl)-3-oxopropanoate

Structural Information

Molecular Formula
C10H8ClFO3
SMILES
COC(=O)CC(=O)C1=C(C=CC=C1Cl)F
InChI
InChI=1S/C10H8ClFO3/c1-15-9(14)5-8(13)10-6(11)3-2-4-7(10)12/h2-4H,5H2,1H3
InChIKey
GXGZQUYKBHOIML-UHFFFAOYSA-N
Compound name
methyl 3-(2-chloro-6-fluorophenyl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

230.0146 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.02188 141.7
[M+Na]+ 253.00382 151.5
[M-H]- 229.00732 144.6
[M+NH4]+ 248.04842 160.9
[M+K]+ 268.97776 148.3
[M+H-H2O]+ 213.01186 136.2
[M+HCOO]- 275.01280 159.6
[M+CH3COO]- 289.02845 188.5
[M+Na-2H]- 250.98927 144.8
[M]+ 230.01405 145.4
[M]- 230.01515 145.4
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