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 143.9
[M+Na]+ 276.96052 156.1
[M+NH4]+ 272.00512 150.9
[M+K]+ 292.93446 150.3
[M-H]- 252.96402 142.5
[M+Na-2H]- 274.94597 148.8
[M]+ 253.97075 145.6
[M]- 253.97185 145.6
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

No patent data available for this compound.