CID 138040057

2247105-33-3

Structural Information

Molecular Formula
C9H6Cl2F2O2
SMILES
COC(=O)C(C1=C(C(=C(C=C1)F)Cl)F)Cl
InChI
InChI=1S/C9H6Cl2F2O2/c1-15-9(14)6(10)4-2-3-5(12)7(11)8(4)13/h2-3,6H,1H3
InChIKey
ILSGCTAJRBWKEM-UHFFFAOYSA-N
Compound name
methyl 2-chloro-2-(3-chloro-2,4-difluorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.9713 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.97858 141.3
[M+Na]+ 276.96052 152.5
[M-H]- 252.96402 142.6
[M+NH4]+ 272.00512 160.3
[M+K]+ 292.93446 147.7
[M+H-H2O]+ 236.96856 136.3
[M+HCOO]- 298.96950 153.0
[M+CH3COO]- 312.98515 192.8
[M+Na-2H]- 274.94597 143.1
[M]+ 253.97075 144.3
[M]- 253.97185 144.3
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

No patent data available for this compound.